(3R)-1-[4-(2-fluoro-5-methylphenyl)benzoyl]piperidine-3-carbonitrile

C20H19FN2O — CID 126437659

IUPAC(3R)-1-[4-(2-fluoro-5-methylphenyl)benzoyl]piperidine-3-carbonitrile
SMILESCc1ccc(F)c(-c2ccc(C(=O)N3CCC[C@@H](C#N)C3)cc2)c1
InChIInChI=1S/C20H19FN2O/c1-14-4-9-19(21)18(11-14)16-5-7-17(8-6-16)20(24)23-10-2-3-15(12-22)13-23/h4-9,11,15H,2-3,10,13H2,1H3/t15-/m0/s1
InChIKeyBUBCPSIHKOMVCK-HNNXBMFYSA-N
MW322.38 g/mol
LogP4.18
Rot. Bonds2

About (3R)-1-[4-(2-fluoro-5-methylphenyl)benzoyl]piperidine-3-carbonitrile

(3R)-1-[4-(2-fluoro-5-methylphenyl)benzoyl]piperidine-3-carbonitrile (PubChem CID 126437659) has the molecular formula C20H19FN2O and a molecular weight of 322.38 g/mol. Its IUPAC name is (3R)-1-[4-(2-fluoro-5-methylphenyl)benzoyl]piperidine-3-carbonitrile.

Molecular Properties

Compound Name(3R)-1-[4-(2-fluoro-5-methylphenyl)benzoyl]piperidine-3-carbonitrile
PubChem CID126437659
Molecular FormulaC20H19FN2O
Molecular Weight322.38 g/mol
Exact Mass322.15
IUPAC Name(3R)-1-[4-(2-fluoro-5-methylphenyl)benzoyl]piperidine-3-carbonitrile
SMILESCc1ccc(F)c(-c2ccc(C(=O)N3CCC[C@@H](C#N)C3)cc2)c1
InChIInChI=1S/C20H19FN2O/c1-14-4-9-19(21)18(11-14)16-5-7-17(8-6-16)20(24)23-10-2-3-15(12-22)13-23/h4-9,11,15H,2-3,10,13H2,1H3/t15-/m0/s1
InChIKeyBUBCPSIHKOMVCK-HNNXBMFYSA-N
XLogP4.18
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylbenzoyl)piperidine-3-carbonitrile
CID 106861257
1-(3-bromo-4-methylbenzoyl)piperidine-3-carbonitrile
CID 81471933
1-[4-(4-methyl-2-oxo-1H-quinolin-6-yl)benzoyl]piperidine-3-carbonitrile
CID 122558993
1-(3-bromo-4-chlorobenzoyl)piperidine-3-carbonitrile
CID 114025845
2-(3-cyanopiperidin-1-yl)-N-(2-fluoro-5-methylphenyl)acetamide
CID 91840470
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
(3S)-1-(4-chloro-2-methoxybenzoyl)piperidine-3-carbonitrile
CID 96560503
1-(3-hydroxy-2-methylbenzoyl)piperidine-3-carbonitrile
CID 82829465
(3-chloropiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
CID 63393138
1-(5-fluoropyridine-2-carbonyl)piperidine-3-carbonitrile
CID 104638536
(4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-3-yl]methanone
CID 110394780
4-[5-[(3R)-3-aminopiperidine-1-carbonyl]-1-(2-hydroxyethyl)-2-(4-methylphenyl)pyrrol-3-yl]-2-fluorobenzonitrile
CID 135326461

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-(2-fluoro-5-methylphenyl)benzoyl]piperidine-3-carbonitrile?
The IUPAC name of (3R)-1-[4-(2-fluoro-5-methylphenyl)benzoyl]piperidine-3-carbonitrile (CID 126437659) is (3R)-1-[4-(2-fluoro-5-methylphenyl)benzoyl]piperidine-3-carbonitrile.
What is the SMILES notation for (3R)-1-[4-(2-fluoro-5-methylphenyl)benzoyl]piperidine-3-carbonitrile?
The canonical SMILES for (3R)-1-[4-(2-fluoro-5-methylphenyl)benzoyl]piperidine-3-carbonitrile is Cc1ccc(F)c(-c2ccc(C(=O)N3CCC[C@@H](C#N)C3)cc2)c1.
What is the InChIKey of (3R)-1-[4-(2-fluoro-5-methylphenyl)benzoyl]piperidine-3-carbonitrile?
The InChIKey is BUBCPSIHKOMVCK-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19FN2O/c1-14-4-9-19(21)18(11-14)16-5-7-17(8-6-16)20(24)23-10-2-3-15(12-22)13-23/h4-9,11,15H,2-3,10,13H2,1H3/t15-/m0/s1.
What are the key properties of (3R)-1-[4-(2-fluoro-5-methylphenyl)benzoyl]piperidine-3-carbonitrile?
(3R)-1-[4-(2-fluoro-5-methylphenyl)benzoyl]piperidine-3-carbonitrile has a molecular weight of 322.38 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-(2-fluoro-5-methylphenyl)benzoyl]piperidine-3-carbonitrile is sourced from PubChem (CID 126437659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).