(3S)-3-N-benzyl-1-N-(3,4-dimethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide

C23H29N3O4 — CID 95088047

IUPAC(3S)-3-N-benzyl-1-N-(3,4-dimethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
SMILESCOc1ccc(NC(=O)N2CCC[C@](C)(C(=O)NCc3ccccc3)C2)cc1OC
InChIInChI=1S/C23H29N3O4/c1-23(21(27)24-15-17-8-5-4-6-9-17)12-7-13-26(16-23)22(28)25-18-10-11-19(29-2)20(14-18)30-3/h4-6,8-11,14H,7,12-13,15-16H2,1-3H3,(H,24,27)(H,25,28)/t23-/m0/s1
InChIKeyHPWYMDBMRAQHJA-QHCPKHFHSA-N
MW411.50 g/mol
LogP3.65
Rot. Bonds6

About (3S)-3-N-benzyl-1-N-(3,4-dimethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide

(3S)-3-N-benzyl-1-N-(3,4-dimethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide (PubChem CID 95088047) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is (3S)-3-N-benzyl-1-N-(3,4-dimethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-benzyl-1-N-(3,4-dimethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
PubChem CID95088047
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name(3S)-3-N-benzyl-1-N-(3,4-dimethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
SMILESCOc1ccc(NC(=O)N2CCC[C@](C)(C(=O)NCc3ccccc3)C2)cc1OC
InChIInChI=1S/C23H29N3O4/c1-23(21(27)24-15-17-8-5-4-6-9-17)12-7-13-26(16-23)22(28)25-18-10-11-19(29-2)20(14-18)30-3/h4-6,8-11,14H,7,12-13,15-16H2,1-3H3,(H,24,27)(H,25,28)/t23-/m0/s1
InChIKeyHPWYMDBMRAQHJA-QHCPKHFHSA-N
XLogP3.65
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-3-N-benzyl-1-N-(3,4-dimethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide 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

(3S)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088079
(3R)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088080
(3R)-3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 95087786
(3S)-3-N-benzyl-1-N-(3-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088103
1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide
CID 53117404
1-N-(3,4-dimethoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide
CID 52998923
3-N-[(4-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 53117302
3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 53117301
(3R)-1-N-(2-methoxyphenyl)-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95087951
(3S)-3-N-benzyl-1-N-(2-ethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 93071343
(3S)-3-N-benzyl-1-N-(2-bromophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088063
(3R)-1-N-(5-chloro-2-methoxyphenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
CID 95087898

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-benzyl-1-N-(3,4-dimethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-benzyl-1-N-(3,4-dimethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide (CID 95088047) is (3S)-3-N-benzyl-1-N-(3,4-dimethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-benzyl-1-N-(3,4-dimethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-benzyl-1-N-(3,4-dimethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide is COc1ccc(NC(=O)N2CCC[C@](C)(C(=O)NCc3ccccc3)C2)cc1OC.
What is the InChIKey of (3S)-3-N-benzyl-1-N-(3,4-dimethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide?
The InChIKey is HPWYMDBMRAQHJA-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-23(21(27)24-15-17-8-5-4-6-9-17)12-7-13-26(16-23)22(28)25-18-10-11-19(29-2)20(14-18)30-3/h4-6,8-11,14H,7,12-13,15-16H2,1-3H3,(H,24,27)(H,25,28)/t23-/m0/s1.
What are the key properties of (3S)-3-N-benzyl-1-N-(3,4-dimethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide?
(3S)-3-N-benzyl-1-N-(3,4-dimethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide has a molecular weight of 411.50 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-benzyl-1-N-(3,4-dimethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 95088047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).