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

C17H27N3O — CID 17184975

IUPACN-(4-methylphenyl)-4-pentylpiperazine-1-carboxamide
SMILESCCCCCN1CCN(C(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C17H27N3O/c1-3-4-5-10-19-11-13-20(14-12-19)17(21)18-16-8-6-15(2)7-9-16/h6-9H,3-5,10-14H2,1-2H3,(H,18,21)
InChIKeyJVWXYXKRLIBMQC-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.33
Rot. Bonds5

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

N-(4-methylphenyl)-4-pentylpiperazine-1-carboxamide (PubChem CID 17184975) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-pentylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-pentylpiperazine-1-carboxamide
PubChem CID17184975
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(4-methylphenyl)-4-pentylpiperazine-1-carboxamide
SMILESCCCCCN1CCN(C(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C17H27N3O/c1-3-4-5-10-19-11-13-20(14-12-19)17(21)18-16-8-6-15(2)7-9-16/h6-9H,3-5,10-14H2,1-2H3,(H,18,21)
InChIKeyJVWXYXKRLIBMQC-UHFFFAOYSA-N
XLogP3.33
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(4-pentylpiperazine-1-carbonyl)amino]benzoate
CID 17185017
N-(4-cyanophenyl)-4-pentylpiperazine-1-carboxamide
CID 113110843
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
4-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113103823
N-[4-(methylamino)phenyl]-4-propylpiperazine-1-carboxamide
CID 59608963
N-(2,6-dimethylphenyl)-4-pentylpiperazine-1-carboxamide
CID 113110798
4-pentyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113110801
4-[2-(4-chlorophenyl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113109898
N-phenyl-4-propylpiperazine-1-carboxamide
CID 17383007
N-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide
CID 17184978
1-N-methyl-4-N-(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 23990210
4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122336600

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-pentylpiperazine-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)-4-pentylpiperazine-1-carboxamide (CID 17184975) is N-(4-methylphenyl)-4-pentylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-4-pentylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-4-pentylpiperazine-1-carboxamide is CCCCCN1CCN(C(=O)Nc2ccc(C)cc2)CC1.
What is the InChIKey of N-(4-methylphenyl)-4-pentylpiperazine-1-carboxamide?
The InChIKey is JVWXYXKRLIBMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-4-5-10-19-11-13-20(14-12-19)17(21)18-16-8-6-15(2)7-9-16/h6-9H,3-5,10-14H2,1-2H3,(H,18,21).
What are the key properties of N-(4-methylphenyl)-4-pentylpiperazine-1-carboxamide?
N-(4-methylphenyl)-4-pentylpiperazine-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-pentylpiperazine-1-carboxamide is sourced from PubChem (CID 17184975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).