1-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxamide

C16H18ClN3O2 — CID 135090544

IUPAC1-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2cc(=O)c3cccc(Cl)c3[nH]2)C1
InChIInChI=1S/C16H18ClN3O2/c17-13-5-1-4-12-14(21)7-11(19-15(12)13)9-20-6-2-3-10(8-20)16(18)22/h1,4-5,7,10H,2-3,6,8-9H2,(H2,18,22)(H,19,21)
InChIKeyGEJDJRAEJWHYMF-UHFFFAOYSA-N
MW319.79 g/mol
LogP1.88
Rot. Bonds3

About 1-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxamide

1-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 135090544) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 1-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxamide
PubChem CID135090544
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name1-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2cc(=O)c3cccc(Cl)c3[nH]2)C1
InChIInChI=1S/C16H18ClN3O2/c17-13-5-1-4-12-14(21)7-11(19-15(12)13)9-20-6-2-3-10(8-20)16(18)22/h1,4-5,7,10H,2-3,6,8-9H2,(H2,18,22)(H,19,21)
InChIKeyGEJDJRAEJWHYMF-UHFFFAOYSA-N
XLogP1.88
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-2-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-1H-quinolin-4-one
CID 135117930
(3S)-1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 26458106
(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 6962119
1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770544
1-[(2-amino-6-chlorophenyl)methyl]piperidine-3-carboxamide
CID 63745227
1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 6456279
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-8-fluoro-4-oxo-1H-quinoline-2-carboxamide
CID 74232796
6-[(3-carbamoylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903916
2-(8-chloro-4-oxo-1H-quinolin-2-yl)ethanethial
CID 87188682
4-oxo-2-[[(3S)-3-phenylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide
CID 97148081
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 30980962
1-[[3-[[[2-(cyclopentanecarbonylamino)acetyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 86900740

Frequently Asked Questions

What is the IUPAC name of 1-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxamide (CID 135090544) is 1-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxamide is NC(=O)C1CCCN(Cc2cc(=O)c3cccc(Cl)c3[nH]2)C1.
What is the InChIKey of 1-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is GEJDJRAEJWHYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c17-13-5-1-4-12-14(21)7-11(19-15(12)13)9-20-6-2-3-10(8-20)16(18)22/h1,4-5,7,10H,2-3,6,8-9H2,(H2,18,22)(H,19,21).
What are the key properties of 1-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxamide?
1-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 319.79 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 135090544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).