(3R)-N-[(4-methoxyphenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide

C22H26N2O3 — CID 94082533

IUPAC(3R)-N-[(4-methoxyphenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3cccc(C)c3)C2)cc1
InChIInChI=1S/C22H26N2O3/c1-16-5-3-6-18(13-16)22(26)24-12-4-7-19(15-24)21(25)23-14-17-8-10-20(27-2)11-9-17/h3,5-6,8-11,13,19H,4,7,12,14-15H2,1-2H3,(H,23,25)/t19-/m1/s1
InChIKeyYDYOGYJBJPKQSL-LJQANCHMSA-N
MW366.46 g/mol
LogP3.17
Rot. Bonds5

About (3R)-N-[(4-methoxyphenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide

(3R)-N-[(4-methoxyphenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide (PubChem CID 94082533) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (3R)-N-[(4-methoxyphenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4-methoxyphenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide
PubChem CID94082533
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(3R)-N-[(4-methoxyphenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3cccc(C)c3)C2)cc1
InChIInChI=1S/C22H26N2O3/c1-16-5-3-6-18(13-16)22(26)24-12-4-7-19(15-24)21(25)23-14-17-8-10-20(27-2)11-9-17/h3,5-6,8-11,13,19H,4,7,12,14-15H2,1-2H3,(H,23,25)/t19-/m1/s1
InChIKeyYDYOGYJBJPKQSL-LJQANCHMSA-N
XLogP3.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(3,5-dimethylbenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082808
N-[(4-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 50804362
(3R)-1-(3,4-difluorobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082606
1-(3,5-dimethylbenzoyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47048010
N-[(3,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 55792149
N-[(2-chlorophenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 50803849
1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46488775
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94029737
(3S)-1-N-(4-methoxyphenyl)-3-N-[(4-methoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 51508259
N-[(4-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide
CID 109051992
1-(3,5-dimethylbenzoyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]piperidine-3-carboxamide
CID 55878443
1-(3,5-dimethylbenzoyl)-N-[(3-ethoxyphenyl)methyl]piperidine-3-carboxamide
CID 55794251

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4-methoxyphenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(4-methoxyphenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide (CID 94082533) is (3R)-N-[(4-methoxyphenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(4-methoxyphenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(4-methoxyphenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide is COc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3cccc(C)c3)C2)cc1.
What is the InChIKey of (3R)-N-[(4-methoxyphenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide?
The InChIKey is YDYOGYJBJPKQSL-LJQANCHMSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16-5-3-6-18(13-16)22(26)24-12-4-7-19(15-24)21(25)23-14-17-8-10-20(27-2)11-9-17/h3,5-6,8-11,13,19H,4,7,12,14-15H2,1-2H3,(H,23,25)/t19-/m1/s1.
What are the key properties of (3R)-N-[(4-methoxyphenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide?
(3R)-N-[(4-methoxyphenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4-methoxyphenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 94082533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).