(3R)-1-(3,5-dimethylbenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide

C23H28N2O3 — CID 94082808

IUPAC(3R)-1-(3,5-dimethylbenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc1
InChIInChI=1S/C23H28N2O3/c1-16-11-17(2)13-20(12-16)23(27)25-10-4-5-19(15-25)22(26)24-14-18-6-8-21(28-3)9-7-18/h6-9,11-13,19H,4-5,10,14-15H2,1-3H3,(H,24,26)/t19-/m1/s1
InChIKeyWGWAJULONHZSNO-LJQANCHMSA-N
MW380.49 g/mol
LogP3.48
Rot. Bonds5

About (3R)-1-(3,5-dimethylbenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide

(3R)-1-(3,5-dimethylbenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 94082808) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is (3R)-1-(3,5-dimethylbenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3,5-dimethylbenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID94082808
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name(3R)-1-(3,5-dimethylbenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc1
InChIInChI=1S/C23H28N2O3/c1-16-11-17(2)13-20(12-16)23(27)25-10-4-5-19(15-25)22(26)24-14-18-6-8-21(28-3)9-7-18/h6-9,11-13,19H,4-5,10,14-15H2,1-3H3,(H,24,26)/t19-/m1/s1
InChIKeyWGWAJULONHZSNO-LJQANCHMSA-N
XLogP3.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-(3,5-dimethylbenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-[(4-methoxyphenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082533
N-[(3,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 55792149
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
1-(3,5-dimethylbenzoyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]piperidine-3-carboxamide
CID 55878443
(3R)-1-(3,4-difluorobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082606
(3S)-1-(3,5-dimethylbenzoyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082877
1-(3,5-dimethylbenzoyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide
CID 56524012
1-(3,5-dimethylbenzoyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47048010
N-[(4-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 50804362
1-(3,5-dimethylbenzoyl)-N-[(3-ethoxyphenyl)methyl]piperidine-3-carboxamide
CID 55794251
(3S)-1-N-(4-methoxyphenyl)-3-N-[(4-methoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 51508259

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3,5-dimethylbenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(3,5-dimethylbenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide (CID 94082808) is (3R)-1-(3,5-dimethylbenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3,5-dimethylbenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3,5-dimethylbenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide is COc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc1.
What is the InChIKey of (3R)-1-(3,5-dimethylbenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is WGWAJULONHZSNO-LJQANCHMSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-16-11-17(2)13-20(12-16)23(27)25-10-4-5-19(15-25)22(26)24-14-18-6-8-21(28-3)9-7-18/h6-9,11-13,19H,4-5,10,14-15H2,1-3H3,(H,24,26)/t19-/m1/s1.
What are the key properties of (3R)-1-(3,5-dimethylbenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide?
(3R)-1-(3,5-dimethylbenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3,5-dimethylbenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 94082808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).