6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide

C13H17N3O2 — CID 71652098

IUPAC6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCC(=O)NC1)c1ccncc1
InChIInChI=1S/C13H17N3O2/c1-9(10-4-6-14-7-5-10)16-13(18)11-2-3-12(17)15-8-11/h4-7,9,11H,2-3,8H2,1H3,(H,15,17)(H,16,18)
InChIKeyBXGIVRSNJUGFHV-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.79
Rot. Bonds3

About 6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide

6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide (PubChem CID 71652098) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide
PubChem CID71652098
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCC(=O)NC1)c1ccncc1
InChIInChI=1S/C13H17N3O2/c1-9(10-4-6-14-7-5-10)16-13(18)11-2-3-12(17)15-8-11/h4-7,9,11H,2-3,8H2,1H3,(H,15,17)(H,16,18)
InChIKeyBXGIVRSNJUGFHV-UHFFFAOYSA-N
XLogP0.79
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-pyridin-4-ylethyl]azetidine-3-carboxamide
CID 81409992
(3R)-6-oxo-N-[(1S)-1-thiophen-2-ylethyl]piperidine-3-carboxamide
CID 94154276
5-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 78981922
N-[1-(2-bromophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 73389762
N-[1-(2-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 74271464
(3R)-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 94170822
N-[1-(3,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 78981822
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 112728851
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-6-oxopiperidine-3-carboxamide
CID 113408101
N-(3-ethylpentan-2-yl)-6-oxopiperidine-3-carboxamide
CID 78952778
2-oxo-N-(1-phenylethyl)piperidine-4-carboxamide
CID 110682047
N-[(1R)-1-pyridin-4-ylethyl]piperidine-2-carboxamide
CID 81410506

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide (CID 71652098) is 6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide is CC(NC(=O)C1CCC(=O)NC1)c1ccncc1.
What is the InChIKey of 6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide?
The InChIKey is BXGIVRSNJUGFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9(10-4-6-14-7-5-10)16-13(18)11-2-3-12(17)15-8-11/h4-7,9,11H,2-3,8H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide?
6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 71652098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).