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

C17H24N4O — CID 113110843

IUPACN-(4-cyanophenyl)-4-pentylpiperazine-1-carboxamide
SMILESCCCCCN1CCN(C(=O)Nc2ccc(C#N)cc2)CC1
InChIInChI=1S/C17H24N4O/c1-2-3-4-9-20-10-12-21(13-11-20)17(22)19-16-7-5-15(14-18)6-8-16/h5-8H,2-4,9-13H2,1H3,(H,19,22)
InChIKeyGFFKRFSHHQXIFO-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.90
Rot. Bonds5

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

N-(4-cyanophenyl)-4-pentylpiperazine-1-carboxamide (PubChem CID 113110843) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-pentylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-pentylpiperazine-1-carboxamide
PubChem CID113110843
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-(4-cyanophenyl)-4-pentylpiperazine-1-carboxamide
SMILESCCCCCN1CCN(C(=O)Nc2ccc(C#N)cc2)CC1
InChIInChI=1S/C17H24N4O/c1-2-3-4-9-20-10-12-21(13-11-20)17(22)19-16-7-5-15(14-18)6-8-16/h5-8H,2-4,9-13H2,1H3,(H,19,22)
InChIKeyGFFKRFSHHQXIFO-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-(4-methylphenyl)-4-pentylpiperazine-1-carboxamide
CID 17184975
N-(4-cyanophenyl)-4-(3-methylbutyl)piperazine-1-carboxamide
CID 113110702
N-(4-cyanophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 38159589
butyl 4-[[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]amino]benzoate
CID 55741236
N-(2-cyanophenyl)-4-pentylpiperazine-1-carboxamide
CID 113110841
ethyl 4-[(4-pentylpiperazine-1-carbonyl)amino]benzoate
CID 17185017
4-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113103823
N-(4-cyanophenyl)piperidine-1-carboxamide
CID 89462027
3-(4-acetylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide
CID 28793141
N-[4-(methylamino)phenyl]-4-propylpiperazine-1-carboxamide
CID 59608963
N-(4-cyanophenyl)-4-formylpiperazine-1-carboxamide
CID 23875995
ethyl 4-[3-(4-cyanoanilino)-3-oxopropyl]piperazine-1-carboxylate
CID 33406443

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-pentylpiperazine-1-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-4-pentylpiperazine-1-carboxamide (CID 113110843) is N-(4-cyanophenyl)-4-pentylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-pentylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-4-pentylpiperazine-1-carboxamide is CCCCCN1CCN(C(=O)Nc2ccc(C#N)cc2)CC1.
What is the InChIKey of N-(4-cyanophenyl)-4-pentylpiperazine-1-carboxamide?
The InChIKey is GFFKRFSHHQXIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-2-3-4-9-20-10-12-21(13-11-20)17(22)19-16-7-5-15(14-18)6-8-16/h5-8H,2-4,9-13H2,1H3,(H,19,22).
What are the key properties of N-(4-cyanophenyl)-4-pentylpiperazine-1-carboxamide?
N-(4-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-(4-cyanophenyl)-4-pentylpiperazine-1-carboxamide is sourced from PubChem (CID 113110843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).