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

C18H16Cl2N4O — CID 113114825

IUPACN-(3-cyanophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide
SMILESN#Cc1cccc(NC(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)c1
InChIInChI=1S/C18H16Cl2N4O/c19-15-5-2-6-16(17(15)20)23-7-9-24(10-8-23)18(25)22-14-4-1-3-13(11-14)12-21/h1-6,11H,7-10H2,(H,22,25)
InChIKeyFKSDBCIGPPSVOO-UHFFFAOYSA-N
MW375.26 g/mol
LogP4.22
Rot. Bonds2

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

N-(3-cyanophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide (PubChem CID 113114825) has the molecular formula C18H16Cl2N4O and a molecular weight of 375.26 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide
PubChem CID113114825
Molecular FormulaC18H16Cl2N4O
Molecular Weight375.26 g/mol
Exact Mass374.07
IUPAC NameN-(3-cyanophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide
SMILESN#Cc1cccc(NC(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)c1
InChIInChI=1S/C18H16Cl2N4O/c19-15-5-2-6-16(17(15)20)23-7-9-24(10-8-23)18(25)22-14-4-1-3-13(11-14)12-21/h1-6,11H,7-10H2,(H,22,25)
InChIKeyFKSDBCIGPPSVOO-UHFFFAOYSA-N
XLogP4.22
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide
CID 113113026
4-(2-tert-butylphenyl)-N-(3-cyanophenyl)piperazine-1-carboxamide
CID 113112618
N-(4-cyanophenyl)-4-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 113114814
N-(3-cyanophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113113682
4-(3-cyanophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 113111248
N-(3-cyanophenyl)-5-oxo-1,4-diazepane-1-carboxamide
CID 60969059
N-(3-acetamidophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 55696051
N-(3-cyanophenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107615
N-(3-cyanophenyl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105776
4-(3-cyanophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113611
4-(3-chloro-2-methylphenyl)-N-phenylpiperazine-1-carboxamide
CID 113076745
4-(2,6-dichlorophenyl)-N-phenylpiperazine-1-carboxamide
CID 113080443

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide (CID 113114825) is N-(3-cyanophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide is N#Cc1cccc(NC(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)c1.
What is the InChIKey of N-(3-cyanophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide?
The InChIKey is FKSDBCIGPPSVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O/c19-15-5-2-6-16(17(15)20)23-7-9-24(10-8-23)18(25)22-14-4-1-3-13(11-14)12-21/h1-6,11H,7-10H2,(H,22,25).
What are the key properties of N-(3-cyanophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide?
N-(3-cyanophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide has a molecular weight of 375.26 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113114825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).