N-(1-adamantyl)-4-(1-ethylimidazol-2-yl)piperidine-1-carboxamide

C21H32N4O — CID 72837474

IUPACN-(1-adamantyl)-4-(1-ethylimidazol-2-yl)piperidine-1-carboxamide
SMILESCCn1ccnc1C1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C21H32N4O/c1-2-24-8-5-22-19(24)18-3-6-25(7-4-18)20(26)23-21-12-15-9-16(13-21)11-17(10-15)14-21/h5,8,15-18H,2-4,6-7,9-14H2,1H3,(H,23,26)
InChIKeyZUSKPAWNDZWLKM-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.76
Rot. Bonds3

About N-(1-adamantyl)-4-(1-ethylimidazol-2-yl)piperidine-1-carboxamide

N-(1-adamantyl)-4-(1-ethylimidazol-2-yl)piperidine-1-carboxamide (PubChem CID 72837474) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is N-(1-adamantyl)-4-(1-ethylimidazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-(1-ethylimidazol-2-yl)piperidine-1-carboxamide
PubChem CID72837474
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC NameN-(1-adamantyl)-4-(1-ethylimidazol-2-yl)piperidine-1-carboxamide
SMILESCCn1ccnc1C1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C21H32N4O/c1-2-24-8-5-22-19(24)18-3-6-25(7-4-18)20(26)23-21-12-15-9-16(13-21)11-17(10-15)14-21/h5,8,15-18H,2-4,6-7,9-14H2,1H3,(H,23,26)
InChIKeyZUSKPAWNDZWLKM-UHFFFAOYSA-N
XLogP3.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-(1-ethylimidazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-(1-adamantyl)-4-(1-ethylimidazol-2-yl)piperidine-1-carboxamide (CID 72837474) is N-(1-adamantyl)-4-(1-ethylimidazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-4-(1-ethylimidazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(1-adamantyl)-4-(1-ethylimidazol-2-yl)piperidine-1-carboxamide is CCn1ccnc1C1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of N-(1-adamantyl)-4-(1-ethylimidazol-2-yl)piperidine-1-carboxamide?
The InChIKey is ZUSKPAWNDZWLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-2-24-8-5-22-19(24)18-3-6-25(7-4-18)20(26)23-21-12-15-9-16(13-21)11-17(10-15)14-21/h5,8,15-18H,2-4,6-7,9-14H2,1H3,(H,23,26).
What are the key properties of N-(1-adamantyl)-4-(1-ethylimidazol-2-yl)piperidine-1-carboxamide?
N-(1-adamantyl)-4-(1-ethylimidazol-2-yl)piperidine-1-carboxamide has a molecular weight of 356.51 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-(1-ethylimidazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 72837474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).