N-(2-cyanophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide

C21H24N4O — CID 113110160

IUPACN-(2-cyanophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
SMILESN#Cc1ccccc1NC(=O)N1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C21H24N4O/c22-17-19-10-4-5-11-20(19)23-21(26)25-15-13-24(14-16-25)12-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11H,6,9,12-16H2,(H,23,26)
InChIKeyYVXNFFIMLDEBQR-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.34
Rot. Bonds5

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

N-(2-cyanophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide (PubChem CID 113110160) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(2-cyanophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
PubChem CID113110160
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-(2-cyanophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
SMILESN#Cc1ccccc1NC(=O)N1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C21H24N4O/c22-17-19-10-4-5-11-20(19)23-21(26)25-15-13-24(14-16-25)12-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11H,6,9,12-16H2,(H,23,26)
InChIKeyYVXNFFIMLDEBQR-UHFFFAOYSA-N
XLogP3.34
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanophenyl)-4-pentylpiperazine-1-carboxamide
CID 113110841
4-[2-(3-chlorophenyl)ethyl]-N-(2-cyanophenyl)piperazine-1-carboxamide
CID 113110972
N-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110111
N-(2-cyanophenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109297
N-(2-cyanophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106907
4-(3-phenylpropyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113110129
N-(2-cyanophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109794
N-(4-chlorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110115
N-(2-cyanophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 2100948
4-(3-phenylpropyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113110107
N-(3,4-dimethylphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110099
N-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110122

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide (CID 113110160) is N-(2-cyanophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide is N#Cc1ccccc1NC(=O)N1CCN(CCCc2ccccc2)CC1.
What is the InChIKey of N-(2-cyanophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide?
The InChIKey is YVXNFFIMLDEBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c22-17-19-10-4-5-11-20(19)23-21(26)25-15-13-24(14-16-25)12-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11H,6,9,12-16H2,(H,23,26).
What are the key properties of N-(2-cyanophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide?
N-(2-cyanophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 113110160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).