4-benzyl-N-[2-(3,4-dichlorophenyl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide

C30H32Cl2N2O2 — CID 23600576

IUPAC4-benzyl-N-[2-(3,4-dichlorophenyl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
SMILESO=C(CCc1ccccc1)N1CCC(Cc2ccccc2)(C(=O)NCCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C30H32Cl2N2O2/c31-26-13-11-24(21-27(26)32)15-18-33-29(36)30(22-25-9-5-2-6-10-25)16-19-34(20-17-30)28(35)14-12-23-7-3-1-4-8-23/h1-11,13,21H,12,14-20,22H2,(H,33,36)
InChIKeyBYWFRVQFZLGQGJ-UHFFFAOYSA-N
MW523.50 g/mol
LogP6.14
Rot. Bonds9

About 4-benzyl-N-[2-(3,4-dichlorophenyl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide

4-benzyl-N-[2-(3,4-dichlorophenyl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide (PubChem CID 23600576) has the molecular formula C30H32Cl2N2O2 and a molecular weight of 523.50 g/mol. Its IUPAC name is 4-benzyl-N-[2-(3,4-dichlorophenyl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[2-(3,4-dichlorophenyl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
PubChem CID23600576
Molecular FormulaC30H32Cl2N2O2
Molecular Weight523.50 g/mol
Exact Mass522.18
IUPAC Name4-benzyl-N-[2-(3,4-dichlorophenyl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
SMILESO=C(CCc1ccccc1)N1CCC(Cc2ccccc2)(C(=O)NCCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C30H32Cl2N2O2/c31-26-13-11-24(21-27(26)32)15-18-33-29(36)30(22-25-9-5-2-6-10-25)16-19-34(20-17-30)28(35)14-12-23-7-3-1-4-8-23/h1-11,13,21H,12,14-20,22H2,(H,33,36)
InChIKeyBYWFRVQFZLGQGJ-UHFFFAOYSA-N
XLogP6.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.50
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzyl-1-(3-phenylpropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 23600561
4-benzyl-N-[(2-chlorophenyl)methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 23600629
4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide
CID 23600598
4-[(4-fluorophenyl)methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxylic acid
CID 22240726
4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(3-phenylprop-2-ynoyl)piperidine-4-carboxamide
CID 23600607
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
3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylpropan-1-one;methanamine
CID 145472486
4-benzyl-N-[2-(4-ethylcyclohexa-1,3-dien-1-yl)ethyl]-1-(morpholine-4-carbonyl)piperidine-4-carboxamide
CID 142821719
1-N'-(3,4-dichlorophenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977196
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 17383605
3-[2-[(1-benzylcyclobutanecarbonyl)amino]ethyl]benzamide
CID 71920831

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[2-(3,4-dichlorophenyl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of 4-benzyl-N-[2-(3,4-dichlorophenyl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide (CID 23600576) is 4-benzyl-N-[2-(3,4-dichlorophenyl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-benzyl-N-[2-(3,4-dichlorophenyl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for 4-benzyl-N-[2-(3,4-dichlorophenyl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide is O=C(CCc1ccccc1)N1CCC(Cc2ccccc2)(C(=O)NCCc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 4-benzyl-N-[2-(3,4-dichlorophenyl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The InChIKey is BYWFRVQFZLGQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32Cl2N2O2/c31-26-13-11-24(21-27(26)32)15-18-33-29(36)30(22-25-9-5-2-6-10-25)16-19-34(20-17-30)28(35)14-12-23-7-3-1-4-8-23/h1-11,13,21H,12,14-20,22H2,(H,33,36).
What are the key properties of 4-benzyl-N-[2-(3,4-dichlorophenyl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
4-benzyl-N-[2-(3,4-dichlorophenyl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide has a molecular weight of 523.50 g/mol, XLogP of 6.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[2-(3,4-dichlorophenyl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 23600576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).