4-(3-cyanophenyl)-N-cyclopentylpiperazine-1-carboxamide

C17H22N4O — CID 113104573

IUPAC4-(3-cyanophenyl)-N-cyclopentylpiperazine-1-carboxamide
SMILESN#Cc1cccc(N2CCN(C(=O)NC3CCCC3)CC2)c1
InChIInChI=1S/C17H22N4O/c18-13-14-4-3-7-16(12-14)20-8-10-21(11-9-20)17(22)19-15-5-1-2-6-15/h3-4,7,12,15H,1-2,5-6,8-11H2,(H,19,22)
InChIKeyMSBDXXJAGGFQCC-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.33
Rot. Bonds2

About 4-(3-cyanophenyl)-N-cyclopentylpiperazine-1-carboxamide

4-(3-cyanophenyl)-N-cyclopentylpiperazine-1-carboxamide (PubChem CID 113104573) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-(3-cyanophenyl)-N-cyclopentylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-cyanophenyl)-N-cyclopentylpiperazine-1-carboxamide
PubChem CID113104573
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name4-(3-cyanophenyl)-N-cyclopentylpiperazine-1-carboxamide
SMILESN#Cc1cccc(N2CCN(C(=O)NC3CCCC3)CC2)c1
InChIInChI=1S/C17H22N4O/c18-13-14-4-3-7-16(12-14)20-8-10-21(11-9-20)17(22)19-15-5-1-2-6-15/h3-4,7,12,15H,1-2,5-6,8-11H2,(H,19,22)
InChIKeyMSBDXXJAGGFQCC-UHFFFAOYSA-N
XLogP2.33
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzonitrile
CID 113080898
methyl 3-[4-(cycloheptylcarbamoyl)piperazin-1-yl]benzoate
CID 113110616
N-butan-2-yl-4-(3-cyanophenyl)piperazine-1-carboxamide
CID 113104404
4-(3-cyanophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113111408
4-(3-cyanophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 113111248
4-(3-cyanophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide
CID 113114880
4-(3-chloro-4-methylphenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 113104516
N-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 4169539
4-(3-cyanophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108801
4-(3-cyanophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 113112068
4-(3-cyanophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113611

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanophenyl)-N-cyclopentylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-cyanophenyl)-N-cyclopentylpiperazine-1-carboxamide (CID 113104573) is 4-(3-cyanophenyl)-N-cyclopentylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-cyanophenyl)-N-cyclopentylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-cyanophenyl)-N-cyclopentylpiperazine-1-carboxamide is N#Cc1cccc(N2CCN(C(=O)NC3CCCC3)CC2)c1.
What is the InChIKey of 4-(3-cyanophenyl)-N-cyclopentylpiperazine-1-carboxamide?
The InChIKey is MSBDXXJAGGFQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c18-13-14-4-3-7-16(12-14)20-8-10-21(11-9-20)17(22)19-15-5-1-2-6-15/h3-4,7,12,15H,1-2,5-6,8-11H2,(H,19,22).
What are the key properties of 4-(3-cyanophenyl)-N-cyclopentylpiperazine-1-carboxamide?
4-(3-cyanophenyl)-N-cyclopentylpiperazine-1-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanophenyl)-N-cyclopentylpiperazine-1-carboxamide is sourced from PubChem (CID 113104573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).