(3S)-3-N-benzyl-1-N-(2-ethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide

C23H29N3O3 — CID 93071343

IUPAC(3S)-3-N-benzyl-1-N-(2-ethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC[C@](C)(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C23H29N3O3/c1-3-29-20-13-8-7-12-19(20)25-22(28)26-15-9-14-23(2,17-26)21(27)24-16-18-10-5-4-6-11-18/h4-8,10-13H,3,9,14-17H2,1-2H3,(H,24,27)(H,25,28)/t23-/m0/s1
InChIKeyUJTAXFOBMUOCBC-QHCPKHFHSA-N
MW395.50 g/mol
LogP4.04
Rot. Bonds6

About (3S)-3-N-benzyl-1-N-(2-ethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide

(3S)-3-N-benzyl-1-N-(2-ethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide (PubChem CID 93071343) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is (3S)-3-N-benzyl-1-N-(2-ethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-benzyl-1-N-(2-ethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
PubChem CID93071343
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name(3S)-3-N-benzyl-1-N-(2-ethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC[C@](C)(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C23H29N3O3/c1-3-29-20-13-8-7-12-19(20)25-22(28)26-15-9-14-23(2,17-26)21(27)24-16-18-10-5-4-6-11-18/h4-8,10-13H,3,9,14-17H2,1-2H3,(H,24,27)(H,25,28)/t23-/m0/s1
InChIKeyUJTAXFOBMUOCBC-QHCPKHFHSA-N
XLogP4.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-3-N-benzyl-1-N-(2-ethoxyphenyl)-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

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-bromophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088063
1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide
CID 53117404
(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
(3S)-3-N-benzyl-1-N-(3,4-dimethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088047
4-N-benzyl-1-N-(2-methoxyphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998868
1-(2-ethoxybenzoyl)-N-[(4-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117030
(3R)-1-N-(2,3-dimethylphenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
CID 95087885
N-benzyl-1-butanoyl-3-methylpiperidine-3-carboxamide
CID 53011171
(3R)-N-benzyl-1-butanoyl-3-methylpiperidine-3-carboxamide
CID 93071246

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-benzyl-1-N-(2-ethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-benzyl-1-N-(2-ethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide (CID 93071343) is (3S)-3-N-benzyl-1-N-(2-ethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-benzyl-1-N-(2-ethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-benzyl-1-N-(2-ethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide is CCOc1ccccc1NC(=O)N1CCC[C@](C)(C(=O)NCc2ccccc2)C1.
What is the InChIKey of (3S)-3-N-benzyl-1-N-(2-ethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide?
The InChIKey is UJTAXFOBMUOCBC-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-3-29-20-13-8-7-12-19(20)25-22(28)26-15-9-14-23(2,17-26)21(27)24-16-18-10-5-4-6-11-18/h4-8,10-13H,3,9,14-17H2,1-2H3,(H,24,27)(H,25,28)/t23-/m0/s1.
What are the key properties of (3S)-3-N-benzyl-1-N-(2-ethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide?
(3S)-3-N-benzyl-1-N-(2-ethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide has a molecular weight of 395.50 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-benzyl-1-N-(2-ethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 93071343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).