N-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine-1-carboxamide

C18H19Cl2N3O — CID 19293497

IUPACN-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C18H19Cl2N3O/c19-15-5-7-16(8-6-15)21-18(24)23-11-9-22(10-12-23)13-14-3-1-2-4-17(14)20/h1-8H,9-13H2,(H,21,24)
InChIKeyNBFGYFLJASCTAC-UHFFFAOYSA-N
MW364.28 g/mol
LogP4.34
Rot. Bonds3

About N-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine-1-carboxamide

N-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine-1-carboxamide (PubChem CID 19293497) has the molecular formula C18H19Cl2N3O and a molecular weight of 364.28 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine-1-carboxamide
PubChem CID19293497
Molecular FormulaC18H19Cl2N3O
Molecular Weight364.28 g/mol
Exact Mass363.09
IUPAC NameN-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C18H19Cl2N3O/c19-15-5-7-16(8-6-15)21-18(24)23-11-9-22(10-12-23)13-14-3-1-2-4-17(14)20/h1-8H,9-13H2,(H,21,24)
InChIKeyNBFGYFLJASCTAC-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

4-[(2-bromophenyl)methyl]-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 19293584
methyl 4-[[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]amino]benzoate
CID 17217880
4-[(2-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113107729
4-[(2-chlorophenyl)methyl]-N-(2,5-dichlorophenyl)piperazine-1-carboxamide
CID 113107765
N-(4-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide
CID 110397485
(4-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19294991
N-(4-chlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 110412057
N-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
CID 19293524
4-[(2-fluorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 35766423
methyl 2-[[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]amino]benzoate
CID 113107758
4-[(2-fluorophenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113107426
4-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113107881

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine-1-carboxamide (CID 19293497) is N-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine-1-carboxamide?
The InChIKey is NBFGYFLJASCTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O/c19-15-5-7-16(8-6-15)21-18(24)23-11-9-22(10-12-23)13-14-3-1-2-4-17(14)20/h1-8H,9-13H2,(H,21,24).
What are the key properties of N-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine-1-carboxamide?
N-(4-chlorophenyl)-4-[(2-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-[(2-chlorophenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 19293497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).