2-oxo-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C16H23N3O2 — CID 119463989

IUPAC2-oxo-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESO=C(NCC1CCCNC1)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C16H23N3O2/c20-15(18-10-11-4-3-7-17-9-11)13-8-12-5-1-2-6-14(12)19-16(13)21/h8,11,17H,1-7,9-10H2,(H,18,20)(H,19,21)
InChIKeyNKXJRXRRLGJEJG-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.98
Rot. Bonds3

About 2-oxo-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

2-oxo-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 119463989) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-oxo-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID119463989
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-oxo-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESO=C(NCC1CCCNC1)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C16H23N3O2/c20-15(18-10-11-4-3-7-17-9-11)13-8-12-5-1-2-6-14(12)19-16(13)21/h8,11,17H,1-7,9-10H2,(H,18,20)(H,19,21)
InChIKeyNKXJRXRRLGJEJG-UHFFFAOYSA-N
XLogP0.98
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-oxo-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-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-oxo-N-(2-piperidin-3-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 119558878
N-[(3-hydroxycyclohexyl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 111460143
N-(cyclohex-3-en-1-ylmethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 71884873
N-[(1-benzylpiperidin-4-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 136524582
2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 72928083
6-methyl-4-oxo-N-(piperidin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 103805930
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 51054939
2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 118790782
2,5-dichloro-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide;hydrochloride
CID 119461858
5-chloro-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 82883859
2-(1-adamantyl)-6-oxo-N-[[(3S)-piperidin-3-yl]methyl]-1H-pyrimidine-5-carboxamide
CID 97137563
N-[2-(ethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
CID 119508881

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 2-oxo-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 119463989) is 2-oxo-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 2-oxo-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is O=C(NCC1CCCNC1)c1cc2c([nH]c1=O)CCCC2.
What is the InChIKey of 2-oxo-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is NKXJRXRRLGJEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-15(18-10-11-4-3-7-17-9-11)13-8-12-5-1-2-6-14(12)19-16(13)21/h8,11,17H,1-7,9-10H2,(H,18,20)(H,19,21).
What are the key properties of 2-oxo-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
2-oxo-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 119463989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).