N-[2,3-bis(4-chlorophenyl)butyl]-1-methylpiperidine-2-carboxamide

C23H28Cl2N2O — CID 69352127

IUPACN-[2,3-bis(4-chlorophenyl)butyl]-1-methylpiperidine-2-carboxamide
SMILESCC(c1ccc(Cl)cc1)C(CNC(=O)C1CCCCN1C)c1ccc(Cl)cc1
InChIInChI=1S/C23H28Cl2N2O/c1-16(17-6-10-19(24)11-7-17)21(18-8-12-20(25)13-9-18)15-26-23(28)22-5-3-4-14-27(22)2/h6-13,16,21-22H,3-5,14-15H2,1-2H3,(H,26,28)
InChIKeyQDURKZSGKBOEOY-UHFFFAOYSA-N
MW419.40 g/mol
LogP5.48
Rot. Bonds6

About N-[2,3-bis(4-chlorophenyl)butyl]-1-methylpiperidine-2-carboxamide

N-[2,3-bis(4-chlorophenyl)butyl]-1-methylpiperidine-2-carboxamide (PubChem CID 69352127) has the molecular formula C23H28Cl2N2O and a molecular weight of 419.40 g/mol. Its IUPAC name is N-[2,3-bis(4-chlorophenyl)butyl]-1-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2,3-bis(4-chlorophenyl)butyl]-1-methylpiperidine-2-carboxamide
PubChem CID69352127
Molecular FormulaC23H28Cl2N2O
Molecular Weight419.40 g/mol
Exact Mass418.16
IUPAC NameN-[2,3-bis(4-chlorophenyl)butyl]-1-methylpiperidine-2-carboxamide
SMILESCC(c1ccc(Cl)cc1)C(CNC(=O)C1CCCCN1C)c1ccc(Cl)cc1
InChIInChI=1S/C23H28Cl2N2O/c1-16(17-6-10-19(24)11-7-17)21(18-8-12-20(25)13-9-18)15-26-23(28)22-5-3-4-14-27(22)2/h6-13,16,21-22H,3-5,14-15H2,1-2H3,(H,26,28)
InChIKeyQDURKZSGKBOEOY-UHFFFAOYSA-N
XLogP5.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.40
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-methylpiperidine-2-carboxamide
CID 110851383
N-[2,3-bis(4-chlorophenyl)butyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 69456114
N-[(3,4-difluorophenyl)methyl]-1-methylazepane-2-carboxamide
CID 72877122
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methylazepane-2-carboxamide
CID 72919277
N-[2,3-bis(4-chlorophenyl)butyl]-3-hydroxy-2,2-dimethylpropanamide
CID 69145454
N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrrolidine-2-carboxamide
CID 110856253
N-[2,3-bis(4-chlorophenyl)butyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 69145531
N-[2,3-bis(4-chlorophenyl)butyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 69375843
(2S)-1-methyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 139684981
N-[2,3-bis(4-chlorophenyl)butyl]isoquinoline-8-carboxamide
CID 69377803
N-[2,3-bis(4-chlorophenyl)butyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 69148477
4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47187389

Frequently Asked Questions

What is the IUPAC name of N-[2,3-bis(4-chlorophenyl)butyl]-1-methylpiperidine-2-carboxamide?
The IUPAC name of N-[2,3-bis(4-chlorophenyl)butyl]-1-methylpiperidine-2-carboxamide (CID 69352127) is N-[2,3-bis(4-chlorophenyl)butyl]-1-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[2,3-bis(4-chlorophenyl)butyl]-1-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[2,3-bis(4-chlorophenyl)butyl]-1-methylpiperidine-2-carboxamide is CC(c1ccc(Cl)cc1)C(CNC(=O)C1CCCCN1C)c1ccc(Cl)cc1.
What is the InChIKey of N-[2,3-bis(4-chlorophenyl)butyl]-1-methylpiperidine-2-carboxamide?
The InChIKey is QDURKZSGKBOEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N2O/c1-16(17-6-10-19(24)11-7-17)21(18-8-12-20(25)13-9-18)15-26-23(28)22-5-3-4-14-27(22)2/h6-13,16,21-22H,3-5,14-15H2,1-2H3,(H,26,28).
What are the key properties of N-[2,3-bis(4-chlorophenyl)butyl]-1-methylpiperidine-2-carboxamide?
N-[2,3-bis(4-chlorophenyl)butyl]-1-methylpiperidine-2-carboxamide has a molecular weight of 419.40 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-bis(4-chlorophenyl)butyl]-1-methylpiperidine-2-carboxamide is sourced from PubChem (CID 69352127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).