4-(3,4-dichlorophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide

C18H19Cl2N3O — CID 3444958

IUPAC4-(3,4-dichlorophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C18H19Cl2N3O/c1-13-2-4-14(5-3-13)21-18(24)23-10-8-22(9-11-23)15-6-7-16(19)17(20)12-15/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyQFGVFILLDPMYFC-UHFFFAOYSA-N
MW364.28 g/mol
LogP4.66
Rot. Bonds2

About 4-(3,4-dichlorophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide

4-(3,4-dichlorophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide (PubChem CID 3444958) has the molecular formula C18H19Cl2N3O and a molecular weight of 364.28 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
PubChem CID3444958
Molecular FormulaC18H19Cl2N3O
Molecular Weight364.28 g/mol
Exact Mass363.09
IUPAC Name4-(3,4-dichlorophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C18H19Cl2N3O/c1-13-2-4-14(5-3-13)21-18(24)23-10-8-22(9-11-23)15-6-7-16(19)17(20)12-15/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyQFGVFILLDPMYFC-UHFFFAOYSA-N
XLogP4.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cariprazine
CID 11154555
Neburon
CID 11145
N-(3-Chlorophenyl)-3,4-dihydro-2(1H)-isoquinolinecarboxamide
CID 594820
Sr-17018
CID 130431397
Cariprazine hydrochloride
CID 25096873
1-(2,3-Dichlorophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 4994857
1-(2-Chlorophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 24768229
1-(2,5-Dichlorophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 24768231
NAcM-OPT
CID 126711307
3-[4-[2-[4-(2,3-Dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-1,1-diethylurea
CID 11259580
Trans-1-{4-[2-[4-(2,3-dichlorophenyl)-piperazin-1-yl]-ethyl]-cyclohexyl}-3-ethyl-urea
CID 11441732
N-(4-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
CID 846926

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,4-dichlorophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide (CID 3444958) is 4-(3,4-dichlorophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,4-dichlorophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide?
The InChIKey is QFGVFILLDPMYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O/c1-13-2-4-14(5-3-13)21-18(24)23-10-8-22(9-11-23)15-6-7-16(19)17(20)12-15/h2-7,12H,8-11H2,1H3,(H,21,24).
What are the key properties of 4-(3,4-dichlorophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide?
4-(3,4-dichlorophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide has a molecular weight of 364.28 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 3444958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).