N-(1-adamantyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide

C22H28N4O — CID 16588026

IUPACN-(1-adamantyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
SMILESN#Cc1ccc(N2CCC(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)nc1
InChIInChI=1S/C22H28N4O/c23-13-15-1-2-20(24-14-15)26-5-3-19(4-6-26)21(27)25-22-10-16-7-17(11-22)9-18(8-16)12-22/h1-2,14,16-19H,3-12H2,(H,25,27)
InChIKeyGJOOURKBPPBDTI-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.25
Rot. Bonds3

About N-(1-adamantyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide

N-(1-adamantyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 16588026) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(1-adamantyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
PubChem CID16588026
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC NameN-(1-adamantyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
SMILESN#Cc1ccc(N2CCC(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)nc1
InChIInChI=1S/C22H28N4O/c23-13-15-1-2-20(24-14-15)26-5-3-19(4-6-26)21(27)25-22-10-16-7-17(11-22)9-18(8-16)12-22/h1-2,14,16-19H,3-12H2,(H,25,27)
InChIKeyGJOOURKBPPBDTI-UHFFFAOYSA-N
XLogP3.25
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide (CID 16588026) is N-(1-adamantyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide is N#Cc1ccc(N2CCC(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)nc1.
What is the InChIKey of N-(1-adamantyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is GJOOURKBPPBDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c23-13-15-1-2-20(24-14-15)26-5-3-19(4-6-26)21(27)25-22-10-16-7-17(11-22)9-18(8-16)12-22/h1-2,14,16-19H,3-12H2,(H,25,27).
What are the key properties of N-(1-adamantyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide?
N-(1-adamantyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 16588026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).