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

C19H20Cl3N3O — CID 52934262

IUPAC4-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H20Cl3N3O/c20-16-4-1-14(2-5-16)13-24-7-9-25(10-8-24)19(26)23-12-15-3-6-17(21)18(22)11-15/h1-6,11H,7-10,12-13H2,(H,23,26)
InChIKeyWCZNFTNJKOQLIV-UHFFFAOYSA-N
MW412.75 g/mol
LogP4.67
Rot. Bonds4

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

4-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide (PubChem CID 52934262) has the molecular formula C19H20Cl3N3O and a molecular weight of 412.75 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide
PubChem CID52934262
Molecular FormulaC19H20Cl3N3O
Molecular Weight412.75 g/mol
Exact Mass411.07
IUPAC Name4-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H20Cl3N3O/c20-16-4-1-14(2-5-16)13-24-7-9-25(10-8-24)19(26)23-12-15-3-6-17(21)18(22)11-15/h1-6,11H,7-10,12-13H2,(H,23,26)
InChIKeyWCZNFTNJKOQLIV-UHFFFAOYSA-N
XLogP4.67
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.75
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108899252
N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43920957
N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106373
N-[(3,4-dichlorophenyl)methyl]-4-(2-methylidenehepta-3,5-dienyl)piperazine-1-carboxamide
CID 123993089
N-[(4-chlorophenyl)methyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide
CID 119058526
(2,4-dichlorophenyl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19295205
N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107
4-[2-(4-chlorophenyl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106931
4-[(3,4-dichlorophenyl)methyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 2957495
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
N-[(4-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104912
4-benzyl-N-[(3-bromophenyl)methyl]piperazine-1-carboxamide
CID 108898851

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide (CID 52934262) is 4-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide is O=C(NCc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide?
The InChIKey is WCZNFTNJKOQLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl3N3O/c20-16-4-1-14(2-5-16)13-24-7-9-25(10-8-24)19(26)23-12-15-3-6-17(21)18(22)11-15/h1-6,11H,7-10,12-13H2,(H,23,26).
What are the key properties of 4-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide?
4-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide has a molecular weight of 412.75 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 52934262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).