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

C17H24N4O — CID 113110841

IUPACN-(2-cyanophenyl)-4-pentylpiperazine-1-carboxamide
SMILESCCCCCN1CCN(C(=O)Nc2ccccc2C#N)CC1
InChIInChI=1S/C17H24N4O/c1-2-3-6-9-20-10-12-21(13-11-20)17(22)19-16-8-5-4-7-15(16)14-18/h4-5,7-8H,2-3,6,9-13H2,1H3,(H,19,22)
InChIKeyCGIXXBSUHWFRPG-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.90
Rot. Bonds5

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

N-(2-cyanophenyl)-4-pentylpiperazine-1-carboxamide (PubChem CID 113110841) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-(2-cyanophenyl)-4-pentylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-4-pentylpiperazine-1-carboxamide
PubChem CID113110841
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-(2-cyanophenyl)-4-pentylpiperazine-1-carboxamide
SMILESCCCCCN1CCN(C(=O)Nc2ccccc2C#N)CC1
InChIInChI=1S/C17H24N4O/c1-2-3-6-9-20-10-12-21(13-11-20)17(22)19-16-8-5-4-7-15(16)14-18/h4-5,7-8H,2-3,6,9-13H2,1H3,(H,19,22)
InChIKeyCGIXXBSUHWFRPG-UHFFFAOYSA-N
XLogP2.90
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110160
N-(2-cyanophenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109297
N-(4-cyanophenyl)-4-pentylpiperazine-1-carboxamide
CID 113110843
4-[2-(3-chlorophenyl)ethyl]-N-(2-cyanophenyl)piperazine-1-carboxamide
CID 113110972
N-(2-cyanophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106907
N-(2-cyanophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109794
4-butyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17185767
N-(2-morpholin-4-ylphenyl)-4-pentylpiperazine-1-carboxamide
CID 113110823
4-butyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide
CID 20795339
N-(2-cyanophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113113758
4-(4-acetylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide
CID 113114212
N-(2,6-dimethylphenyl)-4-pentylpiperazine-1-carboxamide
CID 113110798

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-4-pentylpiperazine-1-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-4-pentylpiperazine-1-carboxamide (CID 113110841) is N-(2-cyanophenyl)-4-pentylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-4-pentylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-4-pentylpiperazine-1-carboxamide is CCCCCN1CCN(C(=O)Nc2ccccc2C#N)CC1.
What is the InChIKey of N-(2-cyanophenyl)-4-pentylpiperazine-1-carboxamide?
The InChIKey is CGIXXBSUHWFRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-2-3-6-9-20-10-12-21(13-11-20)17(22)19-16-8-5-4-7-15(16)14-18/h4-5,7-8H,2-3,6,9-13H2,1H3,(H,19,22).
What are the key properties of N-(2-cyanophenyl)-4-pentylpiperazine-1-carboxamide?
N-(2-cyanophenyl)-4-pentylpiperazine-1-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 2.90, 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-pentylpiperazine-1-carboxamide is sourced from PubChem (CID 113110841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).