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

C20H21Cl3N2O — CID 43920957

IUPACN-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C20H21Cl3N2O/c21-17-4-1-14(2-5-17)12-24-20(26)16-7-9-25(10-8-16)13-15-3-6-18(22)19(23)11-15/h1-6,11,16H,7-10,12-13H2,(H,24,26)
InChIKeyDYLLLTLDKMCVCM-UHFFFAOYSA-N
MW411.76 g/mol
LogP5.18
Rot. Bonds5

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

N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 43920957) 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-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
PubChem CID43920957
Molecular FormulaC20H21Cl3N2O
Molecular Weight411.76 g/mol
Exact Mass410.07
IUPAC NameN-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C20H21Cl3N2O/c21-17-4-1-14(2-5-17)12-24-20(26)16-7-9-25(10-8-16)13-15-3-6-18(22)19(23)11-15/h1-6,11,16H,7-10,12-13H2,(H,24,26)
InChIKeyDYLLLTLDKMCVCM-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-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43920949
N-[(2-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284707
1-[(3,4-dichlorophenyl)methyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917712
1-[(2-chlorophenyl)methyl]-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45007673
N-[(4-chlorophenyl)methyl]-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909933
1-[(3,4-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 53284623
1-[(2,4-dichlorophenyl)methyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917689
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43917693
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 43917657
1-[(3,4-dichlorophenyl)methyl]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide
CID 43922594
1-[(3,4-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917722
N-(2-tert-butylsulfanylethyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43922756

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide (CID 43920957) is N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide is O=C(NCc1ccc(Cl)cc1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is DYLLLTLDKMCVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl3N2O/c21-17-4-1-14(2-5-17)12-24-20(26)16-7-9-25(10-8-16)13-15-3-6-18(22)19(23)11-15/h1-6,11,16H,7-10,12-13H2,(H,24,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-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-4-carboxamide is sourced from PubChem (CID 43920957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).