3-phenyl-N-(3-piperazin-1-ylpropyl)pentanamide

C18H29N3O — CID 119394066

IUPAC3-phenyl-N-(3-piperazin-1-ylpropyl)pentanamide
SMILESCCC(CC(=O)NCCCN1CCNCC1)c1ccccc1
InChIInChI=1S/C18H29N3O/c1-2-16(17-7-4-3-5-8-17)15-18(22)20-9-6-12-21-13-10-19-11-14-21/h3-5,7-8,16,19H,2,6,9-15H2,1H3,(H,20,22)
InChIKeyIKSJUZYYJRBHFP-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.98
Rot. Bonds8

About 3-phenyl-N-(3-piperazin-1-ylpropyl)pentanamide

3-phenyl-N-(3-piperazin-1-ylpropyl)pentanamide (PubChem CID 119394066) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-phenyl-N-(3-piperazin-1-ylpropyl)pentanamide.

Molecular Properties

Compound Name3-phenyl-N-(3-piperazin-1-ylpropyl)pentanamide
PubChem CID119394066
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name3-phenyl-N-(3-piperazin-1-ylpropyl)pentanamide
SMILESCCC(CC(=O)NCCCN1CCNCC1)c1ccccc1
InChIInChI=1S/C18H29N3O/c1-2-16(17-7-4-3-5-8-17)15-18(22)20-9-6-12-21-13-10-19-11-14-21/h3-5,7-8,16,19H,2,6,9-15H2,1H3,(H,20,22)
InChIKeyIKSJUZYYJRBHFP-UHFFFAOYSA-N
XLogP1.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-diphenyl-N-(3-piperazin-1-ylpropyl)butanamide
CID 119392623
2-(diethylamino)-2-phenyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392036
3-methyl-2-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119391045
N-[2-oxo-1-phenyl-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride
CID 119390719
2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 43443368
2-(2-chlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392699
2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119393088
4-oxo-4-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119394229
N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119394389
N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride
CID 119393183
2-(2-chlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119392698
3-acetamido-3-(2-ethoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119392017

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(3-piperazin-1-ylpropyl)pentanamide?
The IUPAC name of 3-phenyl-N-(3-piperazin-1-ylpropyl)pentanamide (CID 119394066) is 3-phenyl-N-(3-piperazin-1-ylpropyl)pentanamide.
What is the SMILES notation for 3-phenyl-N-(3-piperazin-1-ylpropyl)pentanamide?
The canonical SMILES for 3-phenyl-N-(3-piperazin-1-ylpropyl)pentanamide is CCC(CC(=O)NCCCN1CCNCC1)c1ccccc1.
What is the InChIKey of 3-phenyl-N-(3-piperazin-1-ylpropyl)pentanamide?
The InChIKey is IKSJUZYYJRBHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-2-16(17-7-4-3-5-8-17)15-18(22)20-9-6-12-21-13-10-19-11-14-21/h3-5,7-8,16,19H,2,6,9-15H2,1H3,(H,20,22).
What are the key properties of 3-phenyl-N-(3-piperazin-1-ylpropyl)pentanamide?
3-phenyl-N-(3-piperazin-1-ylpropyl)pentanamide has a molecular weight of 303.45 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(3-piperazin-1-ylpropyl)pentanamide is sourced from PubChem (CID 119394066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).