N-[(2R)-1-benzoylpiperidin-2-yl]-4-methylbenzamide

C20H22N2O2 — CID 68592767

IUPACN-[(2R)-1-benzoylpiperidin-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@H]2CCCCN2C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H22N2O2/c1-15-10-12-16(13-11-15)19(23)21-18-9-5-6-14-22(18)20(24)17-7-3-2-4-8-17/h2-4,7-8,10-13,18H,5-6,9,14H2,1H3,(H,21,23)/t18-/m1/s1
InChIKeyBYRRKMFCZXTNBW-GOSISDBHSA-N
MW322.41 g/mol
LogP3.38
Rot. Bonds3

About N-[(2R)-1-benzoylpiperidin-2-yl]-4-methylbenzamide

N-[(2R)-1-benzoylpiperidin-2-yl]-4-methylbenzamide (PubChem CID 68592767) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(2R)-1-benzoylpiperidin-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(2R)-1-benzoylpiperidin-2-yl]-4-methylbenzamide
PubChem CID68592767
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[(2R)-1-benzoylpiperidin-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@H]2CCCCN2C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H22N2O2/c1-15-10-12-16(13-11-15)19(23)21-18-9-5-6-14-22(18)20(24)17-7-3-2-4-8-17/h2-4,7-8,10-13,18H,5-6,9,14H2,1H3,(H,21,23)/t18-/m1/s1
InChIKeyBYRRKMFCZXTNBW-GOSISDBHSA-N
XLogP3.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzamidopiperidine-1-carboxylic acid
CID 151585360
N-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 59294620
[1-(4-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357637
1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
CID 120515009
N-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide
CID 171081015
N-cyclopentyl-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide
CID 53015958
N-cyclooctyl-4-methylbenzamide
CID 3995245
N-(1-cyclopentylpyrrolidin-2-yl)benzamide
CID 90727034
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945
N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119436674
[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 2532732
(2-hydroxypiperidin-1-yl)-phenylmethanone
CID 14920288

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-benzoylpiperidin-2-yl]-4-methylbenzamide?
The IUPAC name of N-[(2R)-1-benzoylpiperidin-2-yl]-4-methylbenzamide (CID 68592767) is N-[(2R)-1-benzoylpiperidin-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[(2R)-1-benzoylpiperidin-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[(2R)-1-benzoylpiperidin-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)N[C@H]2CCCCN2C(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(2R)-1-benzoylpiperidin-2-yl]-4-methylbenzamide?
The InChIKey is BYRRKMFCZXTNBW-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-15-10-12-16(13-11-15)19(23)21-18-9-5-6-14-22(18)20(24)17-7-3-2-4-8-17/h2-4,7-8,10-13,18H,5-6,9,14H2,1H3,(H,21,23)/t18-/m1/s1.
What are the key properties of N-[(2R)-1-benzoylpiperidin-2-yl]-4-methylbenzamide?
N-[(2R)-1-benzoylpiperidin-2-yl]-4-methylbenzamide has a molecular weight of 322.41 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-benzoylpiperidin-2-yl]-4-methylbenzamide is sourced from PubChem (CID 68592767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).