(3S,5S)-1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide

C29H34N2O2 — CID 92996208

IUPAC(3S,5S)-1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)[C@H]2C[C@@H](c3cccc(C)c3)CN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C29H34N2O2/c1-22-7-6-10-25(17-22)26-18-27(21-31(20-26)19-24-8-4-3-5-9-24)29(32)30-16-15-23-11-13-28(33-2)14-12-23/h3-14,17,26-27H,15-16,18-21H2,1-2H3,(H,30,32)/t26-,27+/m1/s1
InChIKeySNFFDNCEKXOAHT-SXOMAYOGSA-N
MW442.60 g/mol
LogP4.97
Rot. Bonds8

About (3S,5S)-1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide

(3S,5S)-1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide (PubChem CID 92996208) has the molecular formula C29H34N2O2 and a molecular weight of 442.60 g/mol. Its IUPAC name is (3S,5S)-1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,5S)-1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
PubChem CID92996208
Molecular FormulaC29H34N2O2
Molecular Weight442.60 g/mol
Exact Mass442.26
IUPAC Name(3S,5S)-1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)[C@H]2C[C@@H](c3cccc(C)c3)CN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C29H34N2O2/c1-22-7-6-10-25(17-22)26-18-27(21-31(20-26)19-24-8-4-3-5-9-24)29(32)30-16-15-23-11-13-28(33-2)14-12-23/h3-14,17,26-27H,15-16,18-21H2,1-2H3,(H,30,32)/t26-,27+/m1/s1
InChIKeySNFFDNCEKXOAHT-SXOMAYOGSA-N
XLogP4.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5S)-1-[(2-fluorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996176
(3S,5S)-1-benzyl-N-(4-methoxyphenyl)-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996083
(3S,5R)-1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996098
(3S,5R)-1-(4-methoxybenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92994736
1-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 46069460
(3R,5S)-1-benzyl-5-(3-methylphenyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 92996089
(3S,5S)-1-(3-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide
CID 92995242
(3R,5R)-1-(3-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide
CID 92995239
N-[2-(dimethylamino)ethyl]-5-(4-fluoro-3-methylphenyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 42866616
(3R,5R)-1-N-(3-methoxyphenyl)-5-phenyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 92995542
5-(4-fluorophenyl)-N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 42866511
1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 18074627

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S,5S)-1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide (CID 92996208) is (3S,5S)-1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S,5S)-1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S,5S)-1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide is COc1ccc(CCNC(=O)[C@H]2C[C@@H](c3cccc(C)c3)CN(Cc3ccccc3)C2)cc1.
What is the InChIKey of (3S,5S)-1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide?
The InChIKey is SNFFDNCEKXOAHT-SXOMAYOGSA-N. The full InChI is InChI=1S/C29H34N2O2/c1-22-7-6-10-25(17-22)26-18-27(21-31(20-26)19-24-8-4-3-5-9-24)29(32)30-16-15-23-11-13-28(33-2)14-12-23/h3-14,17,26-27H,15-16,18-21H2,1-2H3,(H,30,32)/t26-,27+/m1/s1.
What are the key properties of (3S,5S)-1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide?
(3S,5S)-1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide has a molecular weight of 442.60 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 92996208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).