N-(4-cyanophenyl)-4-(2,6-dichlorophenyl)piperazine-1-carboxamide

C18H16Cl2N4O — CID 113114814

IUPACN-(4-cyanophenyl)-4-(2,6-dichlorophenyl)piperazine-1-carboxamide
SMILESN#Cc1ccc(NC(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C18H16Cl2N4O/c19-15-2-1-3-16(20)17(15)23-8-10-24(11-9-23)18(25)22-14-6-4-13(12-21)5-7-14/h1-7H,8-11H2,(H,22,25)
InChIKeyKXRMUTAOWSOMOJ-UHFFFAOYSA-N
MW375.26 g/mol
LogP4.22
Rot. Bonds2

About N-(4-cyanophenyl)-4-(2,6-dichlorophenyl)piperazine-1-carboxamide

N-(4-cyanophenyl)-4-(2,6-dichlorophenyl)piperazine-1-carboxamide (PubChem CID 113114814) has the molecular formula C18H16Cl2N4O and a molecular weight of 375.26 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-(2,6-dichlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-(2,6-dichlorophenyl)piperazine-1-carboxamide
PubChem CID113114814
Molecular FormulaC18H16Cl2N4O
Molecular Weight375.26 g/mol
Exact Mass374.07
IUPAC NameN-(4-cyanophenyl)-4-(2,6-dichlorophenyl)piperazine-1-carboxamide
SMILESN#Cc1ccc(NC(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C18H16Cl2N4O/c19-15-2-1-3-16(20)17(15)23-8-10-24(11-9-23)18(25)22-14-6-4-13(12-21)5-7-14/h1-7H,8-11H2,(H,22,25)
InChIKeyKXRMUTAOWSOMOJ-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

4-(2,6-dichlorophenyl)-N-phenylpiperazine-1-carboxamide
CID 113080443
N-(4-cyanophenyl)piperidine-1-carboxamide
CID 89462027
N-(3-cyanophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide
CID 113114825
4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide
CID 113081072
4-(4-cyanophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 23799232
N-(4-cyanophenyl)-4-formylpiperazine-1-carboxamide
CID 23875995
N-(4-chlorophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide
CID 113113026
N-(4-cyanophenyl)morpholine-4-carboxamide
CID 4984315
N-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide
CID 2746538
1-N-benzyl-4-N-(4-cyanophenyl)piperazine-1,4-dicarboxamide
CID 23820519
4-(3-cyanophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113111408
4-(5-cyano-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
CID 2746537

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-(2,6-dichlorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-4-(2,6-dichlorophenyl)piperazine-1-carboxamide (CID 113114814) is N-(4-cyanophenyl)-4-(2,6-dichlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-(2,6-dichlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-4-(2,6-dichlorophenyl)piperazine-1-carboxamide is N#Cc1ccc(NC(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-4-(2,6-dichlorophenyl)piperazine-1-carboxamide?
The InChIKey is KXRMUTAOWSOMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O/c19-15-2-1-3-16(20)17(15)23-8-10-24(11-9-23)18(25)22-14-6-4-13(12-21)5-7-14/h1-7H,8-11H2,(H,22,25).
What are the key properties of N-(4-cyanophenyl)-4-(2,6-dichlorophenyl)piperazine-1-carboxamide?
N-(4-cyanophenyl)-4-(2,6-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-(4-cyanophenyl)-4-(2,6-dichlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113114814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).