(3S,6S)-N-[2-(4-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide

C29H34N2O3 — CID 92984850

IUPAC(3S,6S)-N-[2-(4-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)[C@H]2CC[C@@H](c3ccccc3)N(Cc3cccc(OC)c3)C2)cc1
InChIInChI=1S/C29H34N2O3/c1-33-26-14-11-22(12-15-26)17-18-30-29(32)25-13-16-28(24-8-4-3-5-9-24)31(21-25)20-23-7-6-10-27(19-23)34-2/h3-12,14-15,19,25,28H,13,16-18,20-21H2,1-2H3,(H,30,32)/t25-,28-/m0/s1
InChIKeyQLGTWQMVYIQEOU-LSYYVWMOSA-N
MW458.60 g/mol
LogP5.02
Rot. Bonds9

About (3S,6S)-N-[2-(4-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide

(3S,6S)-N-[2-(4-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide (PubChem CID 92984850) has the molecular formula C29H34N2O3 and a molecular weight of 458.60 g/mol. Its IUPAC name is (3S,6S)-N-[2-(4-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6S)-N-[2-(4-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide
PubChem CID92984850
Molecular FormulaC29H34N2O3
Molecular Weight458.60 g/mol
Exact Mass458.26
IUPAC Name(3S,6S)-N-[2-(4-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)[C@H]2CC[C@@H](c3ccccc3)N(Cc3cccc(OC)c3)C2)cc1
InChIInChI=1S/C29H34N2O3/c1-33-26-14-11-22(12-15-26)17-18-30-29(32)25-13-16-28(24-8-4-3-5-9-24)31(21-25)20-23-7-6-10-27(19-23)34-2/h3-12,14-15,19,25,28H,13,16-18,20-21H2,1-2H3,(H,30,32)/t25-,28-/m0/s1
InChIKeyQLGTWQMVYIQEOU-LSYYVWMOSA-N
XLogP5.02
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.60
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,6S)-N-[2-(4-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]-6-phenylpiperidine-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,6S)-1-[(3-methoxyphenyl)methyl]-6-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 129426509
(3R,6R)-1-[(4-fluorophenyl)methyl]-6-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92984791
1-[(3-methoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 1343442
(3S,6R)-1-[(3,5-dimethoxyphenyl)methyl]-6-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 92984856
(3S,6S)-1-benzyl-N-(cyclopropylmethyl)-6-phenylpiperidine-3-carboxamide
CID 98754943
N-[2-(4-methoxyphenyl)ethyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide
CID 42869831
1-(cyclopropanecarbonyl)-6-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 71955066
1-benzyl-N-(2,4-dimethoxyphenyl)-6-(4-fluorophenyl)piperidine-3-carboxamide
CID 42870440
(3S,5S)-1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996208
4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672169
4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 112529647
N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-N-[2-(4-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide?
The IUPAC name of (3S,6S)-N-[2-(4-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide (CID 92984850) is (3S,6S)-N-[2-(4-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3S,6S)-N-[2-(4-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3S,6S)-N-[2-(4-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide is COc1ccc(CCNC(=O)[C@H]2CC[C@@H](c3ccccc3)N(Cc3cccc(OC)c3)C2)cc1.
What is the InChIKey of (3S,6S)-N-[2-(4-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide?
The InChIKey is QLGTWQMVYIQEOU-LSYYVWMOSA-N. The full InChI is InChI=1S/C29H34N2O3/c1-33-26-14-11-22(12-15-26)17-18-30-29(32)25-13-16-28(24-8-4-3-5-9-24)31(21-25)20-23-7-6-10-27(19-23)34-2/h3-12,14-15,19,25,28H,13,16-18,20-21H2,1-2H3,(H,30,32)/t25-,28-/m0/s1.
What are the key properties of (3S,6S)-N-[2-(4-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide?
(3S,6S)-N-[2-(4-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide has a molecular weight of 458.60 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-N-[2-(4-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 92984850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).