4-(2-cyanophenyl)-N-cyclopropylpiperazine-1-carboxamide

C15H18N4O — CID 113080857

IUPAC4-(2-cyanophenyl)-N-cyclopropylpiperazine-1-carboxamide
SMILESN#Cc1ccccc1N1CCN(C(=O)NC2CC2)CC1
InChIInChI=1S/C15H18N4O/c16-11-12-3-1-2-4-14(12)18-7-9-19(10-8-18)15(20)17-13-5-6-13/h1-4,13H,5-10H2,(H,17,20)
InChIKeyZQRZMLNRJUWFEL-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.55
Rot. Bonds2

About 4-(2-cyanophenyl)-N-cyclopropylpiperazine-1-carboxamide

4-(2-cyanophenyl)-N-cyclopropylpiperazine-1-carboxamide (PubChem CID 113080857) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-(2-cyanophenyl)-N-cyclopropylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-cyanophenyl)-N-cyclopropylpiperazine-1-carboxamide
PubChem CID113080857
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-(2-cyanophenyl)-N-cyclopropylpiperazine-1-carboxamide
SMILESN#Cc1ccccc1N1CCN(C(=O)NC2CC2)CC1
InChIInChI=1S/C15H18N4O/c16-11-12-3-1-2-4-14(12)18-7-9-19(10-8-18)15(20)17-13-5-6-13/h1-4,13H,5-10H2,(H,17,20)
InChIKeyZQRZMLNRJUWFEL-UHFFFAOYSA-N
XLogP1.55
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 47127245
N-cyclopropyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113077668
2-(4-acetylpiperazin-1-yl)benzonitrile;ethane
CID 143432462
4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 17412310
N-cyclopentyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17452485
4-(2-cyanophenyl)-N-[2,6-di(propan-2-yl)phenyl]piperazine-1-carboxamide
CID 23821172
N-cyclohexyl-4-(2-phenoxyphenyl)piperazine-1-carboxamide
CID 113080037
4-(2-cyanophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 113112174
4-(3-cyanophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 113104573
N-cyclohexyl-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113076124
cis-(1S,2R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 95774790
N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-cyanophenyl)piperazine-1-carboxamide
CID 3799231

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanophenyl)-N-cyclopropylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-cyanophenyl)-N-cyclopropylpiperazine-1-carboxamide (CID 113080857) is 4-(2-cyanophenyl)-N-cyclopropylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-cyanophenyl)-N-cyclopropylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-cyanophenyl)-N-cyclopropylpiperazine-1-carboxamide is N#Cc1ccccc1N1CCN(C(=O)NC2CC2)CC1.
What is the InChIKey of 4-(2-cyanophenyl)-N-cyclopropylpiperazine-1-carboxamide?
The InChIKey is ZQRZMLNRJUWFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c16-11-12-3-1-2-4-14(12)18-7-9-19(10-8-18)15(20)17-13-5-6-13/h1-4,13H,5-10H2,(H,17,20).
What are the key properties of 4-(2-cyanophenyl)-N-cyclopropylpiperazine-1-carboxamide?
4-(2-cyanophenyl)-N-cyclopropylpiperazine-1-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanophenyl)-N-cyclopropylpiperazine-1-carboxamide is sourced from PubChem (CID 113080857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).