(3S)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)piperidine-3-carboxamide

C15H16ClN3O2 — CID 59756651

IUPAC(3S)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)piperidine-3-carboxamide
SMILESO=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@H]1CCCNC1
InChIInChI=1S/C15H16ClN3O2/c16-12-7-11-9(3-5-18-15(11)21)6-13(12)19-14(20)10-2-1-4-17-8-10/h3,5-7,10,17H,1-2,4,8H2,(H,18,21)(H,19,20)/t10-/m0/s1
InChIKeySWYSWGCWSQBRGL-JTQLQIEISA-N
MW305.76 g/mol
LogP2.12
Rot. Bonds2

About (3S)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)piperidine-3-carboxamide

(3S)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)piperidine-3-carboxamide (PubChem CID 59756651) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is (3S)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)piperidine-3-carboxamide
PubChem CID59756651
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name(3S)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)piperidine-3-carboxamide
SMILESO=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@H]1CCCNC1
InChIInChI=1S/C15H16ClN3O2/c16-12-7-11-9(3-5-18-15(11)21)6-13(12)19-14(20)10-2-1-4-17-8-10/h3,5-7,10,17H,1-2,4,8H2,(H,18,21)(H,19,20)/t10-/m0/s1
InChIKeySWYSWGCWSQBRGL-JTQLQIEISA-N
XLogP2.12
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)piperazine-2-carboxamide
CID 59756671
(3S)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 29294269
N-(4-bromo-2-chlorophenyl)piperidine-3-carboxamide
CID 43347399
(3R)-N-(2-chloro-4-fluorophenyl)piperidine-3-carboxamide
CID 29080451
N-(2-chloro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119262654
(3R)-N-(2-chloro-4-cyanophenyl)piperidine-3-carboxamide
CID 107807941
(3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 81124041
N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-4-pyridin-3-ylpyrrolidine-3-carboxamide
CID 46890049
N-(1H-indol-5-yl)piperidine-3-carboxamide
CID 61248015
methyl 4-chloro-3-[[(3R)-piperidine-3-carbonyl]amino]benzoate
CID 28807387
2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-cyclohexylpropanamide
CID 68873926
N-(2-bromo-4-chlorophenyl)piperidine-3-carboxamide
CID 81263705

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)piperidine-3-carboxamide (CID 59756651) is (3S)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)piperidine-3-carboxamide is O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)piperidine-3-carboxamide?
The InChIKey is SWYSWGCWSQBRGL-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-12-7-11-9(3-5-18-15(11)21)6-13(12)19-14(20)10-2-1-4-17-8-10/h3,5-7,10,17H,1-2,4,8H2,(H,18,21)(H,19,20)/t10-/m0/s1.
What are the key properties of (3S)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)piperidine-3-carboxamide?
(3S)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)piperidine-3-carboxamide has a molecular weight of 305.76 g/mol, XLogP of 2.12, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)piperidine-3-carboxamide is sourced from PubChem (CID 59756651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).