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

C18H19Cl2N3O — CID 19293524

IUPACN-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C18H19Cl2N3O/c19-15-4-6-17(7-5-15)21-18(24)23-10-8-22(9-11-23)13-14-2-1-3-16(20)12-14/h1-7,12H,8-11,13H2,(H,21,24)
InChIKeyOPVJJOBGEJZXLR-UHFFFAOYSA-N
MW364.28 g/mol
LogP4.34
Rot. Bonds3

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

N-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide (PubChem CID 19293524) has the molecular formula C18H19Cl2N3O and a molecular weight of 364.28 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
PubChem CID19293524
Molecular FormulaC18H19Cl2N3O
Molecular Weight364.28 g/mol
Exact Mass363.09
IUPAC NameN-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C18H19Cl2N3O/c19-15-4-6-17(7-5-15)21-18(24)23-10-8-22(9-11-23)13-14-2-1-3-16(20)12-14/h1-7,12H,8-11,13H2,(H,21,24)
InChIKeyOPVJJOBGEJZXLR-UHFFFAOYSA-N
XLogP4.34
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
CID 17377817
4-[(3-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 6467974
N-(2-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
CID 6466390
4-[(3-chlorophenyl)methyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide
CID 55740139
4-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113107881
1-[(3-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl]piperazine;oxalic acid
CID 2874542
4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 6470831
N-(3-chloro-4-methylphenyl)-4-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CID 113107888
4-[(4-chlorophenyl)methyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113107874
N-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine-1-carboxamide
CID 19293497
N-(4-chlorophenyl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 31773245
4-[(4-chlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 17299501

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide (CID 19293524) is N-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide?
The InChIKey is OPVJJOBGEJZXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O/c19-15-4-6-17(7-5-15)21-18(24)23-10-8-22(9-11-23)13-14-2-1-3-16(20)12-14/h1-7,12H,8-11,13H2,(H,21,24).
What are the key properties of N-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide?
N-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide has a molecular weight of 364.28 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 19293524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).