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N-(1-adamantyl)-4-(2-pyridinyl)-1-piperazinecarboxamide

View entire compound with spectra: 2 NMR

N-(1-adamantyl)-4-(2-pyridinyl)-1-piperazinecarboxamide
SpectraBase Compound ID CKTz8C985kC
InChI InChI=1S/C20H28N4O/c25-19(22-20-12-15-9-16(13-20)11-17(10-15)14-20)24-7-5-23(6-8-24)18-3-1-2-4-21-18/h1-4,15-17H,5-14H2,(H,22,25)/t15-,16+,17-,20-
InChIKey UCHKLYVKCMEIHU-CHINLQBDSA-N
Mol Weight 340.47 g/mol
Molecular Formula C20H28N4O
Exact Mass 340.226312 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A6FU0zxFF6G
Name N-(1-Adamantyl)-4-(2-pyridinyl)-1-piperazinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 340.226311537 u
Formula C20H28N4O
InChI InChI=1S/C20H28N4O/c25-19(22-20-12-15-9-16(13-20)11-17(10-15)14-20)24-7-5-23(6-8-24)18-3-1-2-4-21-18/h1-4,15-17H,5-14H2,(H,22,25)/t15-,16+,17-,20-
InChIKey UCHKLYVKCMEIHU-CHINLQBDSA-N
Molecular Weight 340.471 g/mol
SMILES N(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(N1CCN(CC1)C1=NC=CC=C1)=O