1-[4-(4-methyl-2-oxo-1H-quinolin-6-yl)benzoyl]piperidine-3-carbonitrile

C23H21N3O2 — CID 122558993

IUPAC1-[4-(4-methyl-2-oxo-1H-quinolin-6-yl)benzoyl]piperidine-3-carbonitrile
SMILESCc1cc(=O)[nH]c2ccc(-c3ccc(C(=O)N4CCCC(C#N)C4)cc3)cc12
InChIInChI=1S/C23H21N3O2/c1-15-11-22(27)25-21-9-8-19(12-20(15)21)17-4-6-18(7-5-17)23(28)26-10-2-3-16(13-24)14-26/h4-9,11-12,16H,2-3,10,14H2,1H3,(H,25,27)
InChIKeyBSDWJNXBOSYQEC-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.88
Rot. Bonds2

About 1-[4-(4-methyl-2-oxo-1H-quinolin-6-yl)benzoyl]piperidine-3-carbonitrile

1-[4-(4-methyl-2-oxo-1H-quinolin-6-yl)benzoyl]piperidine-3-carbonitrile (PubChem CID 122558993) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[4-(4-methyl-2-oxo-1H-quinolin-6-yl)benzoyl]piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-[4-(4-methyl-2-oxo-1H-quinolin-6-yl)benzoyl]piperidine-3-carbonitrile
PubChem CID122558993
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name1-[4-(4-methyl-2-oxo-1H-quinolin-6-yl)benzoyl]piperidine-3-carbonitrile
SMILESCc1cc(=O)[nH]c2ccc(-c3ccc(C(=O)N4CCCC(C#N)C4)cc3)cc12
InChIInChI=1S/C23H21N3O2/c1-15-11-22(27)25-21-9-8-19(12-20(15)21)17-4-6-18(7-5-17)23(28)26-10-2-3-16(13-24)14-26/h4-9,11-12,16H,2-3,10,14H2,1H3,(H,25,27)
InChIKeyBSDWJNXBOSYQEC-UHFFFAOYSA-N
XLogP3.88
TPSA76.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[4-(2-fluoro-5-methylphenyl)benzoyl]piperidine-3-carbonitrile
CID 126437659
1-(3-bromo-4-methylbenzoyl)piperidine-3-carbonitrile
CID 81471933
(3S)-1-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)piperidine-3-carbonitrile
CID 126454483
1-(6-oxo-1H-pyridine-2-carbonyl)piperidine-3-carbonitrile
CID 114040125
1-(3-bromo-4-chlorobenzoyl)piperidine-3-carbonitrile
CID 114025845
1-(2-chloro-4-methylbenzoyl)piperidine-3-carbonitrile
CID 106861257
1-(3-hydroxy-2-methylbenzoyl)piperidine-3-carbonitrile
CID 82829465
4-methyl-7-[(3R)-3-methylpiperazine-1-carbonyl]-1H-quinolin-2-one
CID 166298556
1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-2-carbonyl]piperidine-4-carbonitrile
CID 141418557
1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carbonitrile
CID 47086841
[4-(4-aminoquinolin-6-yl)phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone
CID 122572045
(3R)-1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-3-carboxamide
CID 94784044

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-2-oxo-1H-quinolin-6-yl)benzoyl]piperidine-3-carbonitrile?
The IUPAC name of 1-[4-(4-methyl-2-oxo-1H-quinolin-6-yl)benzoyl]piperidine-3-carbonitrile (CID 122558993) is 1-[4-(4-methyl-2-oxo-1H-quinolin-6-yl)benzoyl]piperidine-3-carbonitrile.
What is the SMILES notation for 1-[4-(4-methyl-2-oxo-1H-quinolin-6-yl)benzoyl]piperidine-3-carbonitrile?
The canonical SMILES for 1-[4-(4-methyl-2-oxo-1H-quinolin-6-yl)benzoyl]piperidine-3-carbonitrile is Cc1cc(=O)[nH]c2ccc(-c3ccc(C(=O)N4CCCC(C#N)C4)cc3)cc12.
What is the InChIKey of 1-[4-(4-methyl-2-oxo-1H-quinolin-6-yl)benzoyl]piperidine-3-carbonitrile?
The InChIKey is BSDWJNXBOSYQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-15-11-22(27)25-21-9-8-19(12-20(15)21)17-4-6-18(7-5-17)23(28)26-10-2-3-16(13-24)14-26/h4-9,11-12,16H,2-3,10,14H2,1H3,(H,25,27).
What are the key properties of 1-[4-(4-methyl-2-oxo-1H-quinolin-6-yl)benzoyl]piperidine-3-carbonitrile?
1-[4-(4-methyl-2-oxo-1H-quinolin-6-yl)benzoyl]piperidine-3-carbonitrile has a molecular weight of 371.44 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methyl-2-oxo-1H-quinolin-6-yl)benzoyl]piperidine-3-carbonitrile is sourced from PubChem (CID 122558993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).