4-(2,5-dichlorophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide

C18H19Cl2N3O2 — CID 113113603

IUPAC4-(2,5-dichlorophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)c1
InChIInChI=1S/C18H19Cl2N3O2/c1-25-15-4-2-3-14(12-15)21-18(24)23-9-7-22(8-10-23)17-11-13(19)5-6-16(17)20/h2-6,11-12H,7-10H2,1H3,(H,21,24)
InChIKeyMXPHCGATZVEOAG-UHFFFAOYSA-N
MW380.28 g/mol
LogP4.36
Rot. Bonds3

About 4-(2,5-dichlorophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide

4-(2,5-dichlorophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 113113603) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
PubChem CID113113603
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC Name4-(2,5-dichlorophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)c1
InChIInChI=1S/C18H19Cl2N3O2/c1-25-15-4-2-3-14(12-15)21-18(24)23-9-7-22(8-10-23)17-11-13(19)5-6-16(17)20/h2-6,11-12H,7-10H2,1H3,(H,21,24)
InChIKeyMXPHCGATZVEOAG-UHFFFAOYSA-N
XLogP4.36
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-2-methoxyphenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113441
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
methyl 2-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113586
N-(3-chloro-4-fluorophenyl)-4-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 113113341
4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113110333
4-(3-methoxyphenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 16645833
4-(5-chloro-2-methoxyphenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 113112777
N-(3-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 61321561
4-(5-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 17300058
N-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113577
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 51515803
4-(3-cyanophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113611

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2,5-dichlorophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide (CID 113113603) is 4-(2,5-dichlorophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,5-dichlorophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2,5-dichlorophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide is COc1cccc(NC(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)c1.
What is the InChIKey of 4-(2,5-dichlorophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is MXPHCGATZVEOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c1-25-15-4-2-3-14(12-15)21-18(24)23-9-7-22(8-10-23)17-11-13(19)5-6-16(17)20/h2-6,11-12H,7-10H2,1H3,(H,21,24).
What are the key properties of 4-(2,5-dichlorophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide?
4-(2,5-dichlorophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 380.28 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113113603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).