4-benzyl-1-(3-phenylpropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide

C31H36N2O2 — CID 23600561

IUPAC4-benzyl-1-(3-phenylpropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide
SMILESO=C(CCc1ccccc1)N1CCC(Cc2ccccc2)(C(=O)NCCCc2ccccc2)CC1
InChIInChI=1S/C31H36N2O2/c34-29(19-18-27-13-6-2-7-14-27)33-23-20-31(21-24-33,25-28-15-8-3-9-16-28)30(35)32-22-10-17-26-11-4-1-5-12-26/h1-9,11-16H,10,17-25H2,(H,32,35)
InChIKeyYUMSJSKEYXAHNB-UHFFFAOYSA-N
MW468.64 g/mol
LogP5.22
Rot. Bonds10

About 4-benzyl-1-(3-phenylpropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide

4-benzyl-1-(3-phenylpropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide (PubChem CID 23600561) has the molecular formula C31H36N2O2 and a molecular weight of 468.64 g/mol. Its IUPAC name is 4-benzyl-1-(3-phenylpropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-benzyl-1-(3-phenylpropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide
PubChem CID23600561
Molecular FormulaC31H36N2O2
Molecular Weight468.64 g/mol
Exact Mass468.28
IUPAC Name4-benzyl-1-(3-phenylpropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide
SMILESO=C(CCc1ccccc1)N1CCC(Cc2ccccc2)(C(=O)NCCCc2ccccc2)CC1
InChIInChI=1S/C31H36N2O2/c34-29(19-18-27-13-6-2-7-14-27)33-23-20-31(21-24-33,25-28-15-8-3-9-16-28)30(35)32-22-10-17-26-11-4-1-5-12-26/h1-9,11-16H,10,17-25H2,(H,32,35)
InChIKeyYUMSJSKEYXAHNB-UHFFFAOYSA-N
XLogP5.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.64
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-benzyl-N-[2-(3,4-dichlorophenyl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 23600576
4-benzyl-N-[(2-chlorophenyl)methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 23600629
4-[(4-fluorophenyl)methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxylic acid
CID 22240726
4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide
CID 23600598
4-benzyl-1-[3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid
CID 22241020
4-benzyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-4-carboxylic acid
CID 22240979
1-(3-cyclopentylpropanoyl)-4-phenyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 23600335
4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(3-phenylprop-2-ynoyl)piperidine-4-carboxamide
CID 23600607
N-methyl-1-(3-phenylpropanoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805527
benzyl 4-benzyl-4-(benzylcarbamoyl)piperidine-1-carboxylate
CID 23600667
N-(2-morpholin-4-ylethyl)-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 23600948
1-(azepan-1-yl)-3-(3-phenylpropylamino)propan-1-one
CID 109030919

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(3-phenylpropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide?
The IUPAC name of 4-benzyl-1-(3-phenylpropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide (CID 23600561) is 4-benzyl-1-(3-phenylpropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-benzyl-1-(3-phenylpropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 4-benzyl-1-(3-phenylpropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide is O=C(CCc1ccccc1)N1CCC(Cc2ccccc2)(C(=O)NCCCc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-(3-phenylpropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide?
The InChIKey is YUMSJSKEYXAHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N2O2/c34-29(19-18-27-13-6-2-7-14-27)33-23-20-31(21-24-33,25-28-15-8-3-9-16-28)30(35)32-22-10-17-26-11-4-1-5-12-26/h1-9,11-16H,10,17-25H2,(H,32,35).
What are the key properties of 4-benzyl-1-(3-phenylpropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide?
4-benzyl-1-(3-phenylpropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide has a molecular weight of 468.64 g/mol, XLogP of 5.22, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(3-phenylpropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 23600561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).