(3R)-3-(butanoylamino)-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide

C16H24N4O2 — CID 95309440

IUPAC(3R)-3-(butanoylamino)-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
SMILESCCCC(=O)N[C@@H]1CCCN(C(=O)NCc2ccccn2)C1
InChIInChI=1S/C16H24N4O2/c1-2-6-15(21)19-14-8-5-10-20(12-14)16(22)18-11-13-7-3-4-9-17-13/h3-4,7,9,14H,2,5-6,8,10-12H2,1H3,(H,18,22)(H,19,21)/t14-/m1/s1
InChIKeyNQTWQYPIPPCRPT-CQSZACIVSA-N
MW304.39 g/mol
LogP1.67
Rot. Bonds5

About (3R)-3-(butanoylamino)-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide

(3R)-3-(butanoylamino)-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide (PubChem CID 95309440) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (3R)-3-(butanoylamino)-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(butanoylamino)-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
PubChem CID95309440
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(3R)-3-(butanoylamino)-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
SMILESCCCC(=O)N[C@@H]1CCCN(C(=O)NCc2ccccn2)C1
InChIInChI=1S/C16H24N4O2/c1-2-6-15(21)19-14-8-5-10-20(12-14)16(22)18-11-13-7-3-4-9-17-13/h3-4,7,9,14H,2,5-6,8,10-12H2,1H3,(H,18,22)(H,19,21)/t14-/m1/s1
InChIKeyNQTWQYPIPPCRPT-CQSZACIVSA-N
XLogP1.67
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-3-(butanoylamino)-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(pyridin-2-ylmethylcarbamoyl)piperidin-3-yl]acetic acid
CID 62689961
(3R)-3-anilino-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide
CID 95150905
N-(pyridin-2-ylmethyl)-3-pyrrolidin-3-ylpiperidine-1-carboxamide
CID 128771647
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
CID 45214329
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
2-(3-methylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 108999232
1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 43318535
N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
CID 45227413
(3S)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 94656232
2-(1-methylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 110851953
N-[1-(3-aminobenzoyl)piperidin-3-yl]butanamide
CID 119761707
3-ethyl-N-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 86999163

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(butanoylamino)-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(butanoylamino)-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide (CID 95309440) is (3R)-3-(butanoylamino)-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(butanoylamino)-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(butanoylamino)-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide is CCCC(=O)N[C@@H]1CCCN(C(=O)NCc2ccccn2)C1.
What is the InChIKey of (3R)-3-(butanoylamino)-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide?
The InChIKey is NQTWQYPIPPCRPT-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-2-6-15(21)19-14-8-5-10-20(12-14)16(22)18-11-13-7-3-4-9-17-13/h3-4,7,9,14H,2,5-6,8,10-12H2,1H3,(H,18,22)(H,19,21)/t14-/m1/s1.
What are the key properties of (3R)-3-(butanoylamino)-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide?
(3R)-3-(butanoylamino)-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(butanoylamino)-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 95309440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).