(3S,5R)-1-(4-methoxybenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide

C28H30N2O3 — CID 92994736

IUPAC(3S,5R)-1-(4-methoxybenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESCOc1ccc(C(=O)N2C[C@@H](C(=O)NCCc3ccccc3)C[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/C28H30N2O3/c1-33-26-14-12-23(13-15-26)28(32)30-19-24(22-10-6-3-7-11-22)18-25(20-30)27(31)29-17-16-21-8-4-2-5-9-21/h2-15,24-25H,16-20H2,1H3,(H,29,31)/t24-,25-/m0/s1
InChIKeyHYIPYNQBRKWZPH-DQEYMECFSA-N
MW442.56 g/mol
LogP4.30
Rot. Bonds7

About (3S,5R)-1-(4-methoxybenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide

(3S,5R)-1-(4-methoxybenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 92994736) has the molecular formula C28H30N2O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is (3S,5R)-1-(4-methoxybenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,5R)-1-(4-methoxybenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID92994736
Molecular FormulaC28H30N2O3
Molecular Weight442.56 g/mol
Exact Mass442.23
IUPAC Name(3S,5R)-1-(4-methoxybenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESCOc1ccc(C(=O)N2C[C@@H](C(=O)NCCc3ccccc3)C[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/C28H30N2O3/c1-33-26-14-12-23(13-15-26)28(32)30-19-24(22-10-6-3-7-11-22)18-25(20-30)27(31)29-17-16-21-8-4-2-5-9-21/h2-15,24-25H,16-20H2,1H3,(H,29,31)/t24-,25-/m0/s1
InChIKeyHYIPYNQBRKWZPH-DQEYMECFSA-N
XLogP4.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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
(3R,5R)-1-N-(3-methoxyphenyl)-5-phenyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 92995542
1-(4-fluorobenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide
CID 46064987
(3S,5S)-1-(2-fluorobenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92994806
N-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)-5-phenylpiperidine-3-carboxamide
CID 42868408
(3R,5S)-1-(3,4-dimethoxybenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide
CID 92994853
1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide
CID 46065014
(3R,5S)-1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide
CID 92994765
(3S,5S)-1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996208
(3S,5S)-1-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide
CID 92998980
1-N-butyl-5-(3,4-dimethoxyphenyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 42865453

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-(4-methoxybenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of (3S,5R)-1-(4-methoxybenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide (CID 92994736) is (3S,5R)-1-(4-methoxybenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S,5R)-1-(4-methoxybenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S,5R)-1-(4-methoxybenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide is COc1ccc(C(=O)N2C[C@@H](C(=O)NCCc3ccccc3)C[C@H](c3ccccc3)C2)cc1.
What is the InChIKey of (3S,5R)-1-(4-methoxybenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is HYIPYNQBRKWZPH-DQEYMECFSA-N. The full InChI is InChI=1S/C28H30N2O3/c1-33-26-14-12-23(13-15-26)28(32)30-19-24(22-10-6-3-7-11-22)18-25(20-30)27(31)29-17-16-21-8-4-2-5-9-21/h2-15,24-25H,16-20H2,1H3,(H,29,31)/t24-,25-/m0/s1.
What are the key properties of (3S,5R)-1-(4-methoxybenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide?
(3S,5R)-1-(4-methoxybenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-(4-methoxybenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 92994736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).