1-[(3,4-dichlorophenyl)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide

C28H29Cl2N3O2 — CID 43923526

IUPAC1-[(3,4-dichlorophenyl)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccccc1NC(=O)C1CCCN(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C28H29Cl2N3O2/c29-24-13-12-21(17-25(24)30)18-33-16-6-9-22(19-33)27(34)32-26-11-5-4-10-23(26)28(35)31-15-14-20-7-2-1-3-8-20/h1-5,7-8,10-13,17,22H,6,9,14-16,18-19H2,(H,31,35)(H,32,34)
InChIKeyPGXCCTDVMCZGEA-UHFFFAOYSA-N
MW510.47 g/mol
LogP5.82
Rot. Bonds8

About 1-[(3,4-dichlorophenyl)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide

1-[(3,4-dichlorophenyl)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide (PubChem CID 43923526) has the molecular formula C28H29Cl2N3O2 and a molecular weight of 510.47 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
PubChem CID43923526
Molecular FormulaC28H29Cl2N3O2
Molecular Weight510.47 g/mol
Exact Mass509.16
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccccc1NC(=O)C1CCCN(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C28H29Cl2N3O2/c29-24-13-12-21(17-25(24)30)18-33-16-6-9-22(19-33)27(34)32-26-11-5-4-10-23(26)28(35)31-15-14-20-7-2-1-3-8-20/h1-5,7-8,10-13,17,22H,6,9,14-16,18-19H2,(H,31,35)(H,32,34)
InChIKeyPGXCCTDVMCZGEA-UHFFFAOYSA-N
XLogP5.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.47
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3,4-dichlorophenyl)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide with MolForge

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Related Compounds

N-[2-(benzylcarbamoyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43923445
(3S)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 98055074
N-(2-carbamoylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43926199
1-[(4-fluorophenyl)methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43925204
1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919369
1-[(4-bromophenyl)methyl]-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 43925556
1-[(2,4-dichlorophenyl)methyl]-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 43925552
1-benzyl-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925060
1-[(4-chlorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43925587
1-(4-chlorophenyl)sulfonyl-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 133189446
1-[(3,4-dichlorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 43921165
1-N,4-N-bis[2-(2-phenylethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 4930342

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide (CID 43923526) is 1-[(3,4-dichlorophenyl)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide is O=C(NCCc1ccccc1)c1ccccc1NC(=O)C1CCCN(Cc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide?
The InChIKey is PGXCCTDVMCZGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29Cl2N3O2/c29-24-13-12-21(17-25(24)30)18-33-16-6-9-22(19-33)27(34)32-26-11-5-4-10-23(26)28(35)31-15-14-20-7-2-1-3-8-20/h1-5,7-8,10-13,17,22H,6,9,14-16,18-19H2,(H,31,35)(H,32,34).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide?
1-[(3,4-dichlorophenyl)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide has a molecular weight of 510.47 g/mol, XLogP of 5.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 43923526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).