N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide

C20H21Cl3N2O — CID 43920949

IUPACN-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCCN(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C20H21Cl3N2O/c21-17-6-3-14(4-7-17)11-24-20(26)16-2-1-9-25(13-16)12-15-5-8-18(22)19(23)10-15/h3-8,10,16H,1-2,9,11-13H2,(H,24,26)
InChIKeyZFAIHDJAVLLLHP-UHFFFAOYSA-N
MW411.76 g/mol
LogP5.18
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide

N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 43920949) has the molecular formula C20H21Cl3N2O and a molecular weight of 411.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
PubChem CID43920949
Molecular FormulaC20H21Cl3N2O
Molecular Weight411.76 g/mol
Exact Mass410.07
IUPAC NameN-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCCN(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C20H21Cl3N2O/c21-17-6-3-14(4-7-17)11-24-20(26)16-2-1-9-25(13-16)12-15-5-8-18(22)19(23)10-15/h3-8,10,16H,1-2,9,11-13H2,(H,24,26)
InChIKeyZFAIHDJAVLLLHP-UHFFFAOYSA-N
XLogP5.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.76
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43917450
N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43920957
1-[(3,4-dichlorophenyl)methyl]-N-pentylpiperidine-3-carboxamide
CID 43924572
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
1-[(2,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43921064
1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 6456279
N-[2-(benzylcarbamoyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43923445
N-benzyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43918749
N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916653
1-[(3,4-dichlorophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide
CID 165431874
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43917396
1-[(3,4-dichlorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 43924672

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide (CID 43920949) is N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide is O=C(NCc1ccc(Cl)cc1)C1CCCN(Cc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is ZFAIHDJAVLLLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl3N2O/c21-17-6-3-14(4-7-17)11-24-20(26)16-2-1-9-25(13-16)12-15-5-8-18(22)19(23)10-15/h3-8,10,16H,1-2,9,11-13H2,(H,24,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 411.76 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43920949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).