1-phenyl-N-(3-piperazin-1-ylpropyl)cyclopentane-1-carboxamide

C19H29N3O — CID 119393727

IUPAC1-phenyl-N-(3-piperazin-1-ylpropyl)cyclopentane-1-carboxamide
SMILESO=C(NCCCN1CCNCC1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C19H29N3O/c23-18(21-11-6-14-22-15-12-20-13-16-22)19(9-4-5-10-19)17-7-2-1-3-8-17/h1-3,7-8,20H,4-6,9-16H2,(H,21,23)
InChIKeyKMBNPFQVMRTTNC-UHFFFAOYSA-N
MW315.46 g/mol
LogP1.91
Rot. Bonds6

About 1-phenyl-N-(3-piperazin-1-ylpropyl)cyclopentane-1-carboxamide

1-phenyl-N-(3-piperazin-1-ylpropyl)cyclopentane-1-carboxamide (PubChem CID 119393727) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-phenyl-N-(3-piperazin-1-ylpropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(3-piperazin-1-ylpropyl)cyclopentane-1-carboxamide
PubChem CID119393727
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name1-phenyl-N-(3-piperazin-1-ylpropyl)cyclopentane-1-carboxamide
SMILESO=C(NCCCN1CCNCC1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C19H29N3O/c23-18(21-11-6-14-22-15-12-20-13-16-22)19(9-4-5-10-19)17-7-2-1-3-8-17/h1-3,7-8,20H,4-6,9-16H2,(H,21,23)
InChIKeyKMBNPFQVMRTTNC-UHFFFAOYSA-N
XLogP1.91
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 51.91
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

1-phenyl-N-(2-piperazin-1-ylethyl)cyclopentane-1-carboxamide
CID 119448297
1-(3-methylphenyl)-N-(3-piperazin-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119393940
1-(4-fluorophenyl)-N-(3-piperazin-1-ylpropyl)cyclopropane-1-carboxamide
CID 119394382
1-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119447484
1-benzyl-3-(3-piperazin-1-ylpropyl)urea
CID 107653368
1-phenyl-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]cyclohexane-1-carboxamide
CID 70554669
N-(6-aminohexyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride
CID 142770343
1-ethylsulfonyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-phenylpiperidine-4-carboxamide
CID 78837890
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide
CID 46483063
N-(3-amino-3-oxopropyl)-1-phenylcyclopentane-1-carboxamide
CID 110473789
N-[3-(dimethylamino)propyl]-1-phenylcyclobutane-1-carboxamide
CID 110437520
N-(3,3-dimethylbutyl)-4-phenylpiperidine-4-carboxamide
CID 115597355

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(3-piperazin-1-ylpropyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-phenyl-N-(3-piperazin-1-ylpropyl)cyclopentane-1-carboxamide (CID 119393727) is 1-phenyl-N-(3-piperazin-1-ylpropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-phenyl-N-(3-piperazin-1-ylpropyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-phenyl-N-(3-piperazin-1-ylpropyl)cyclopentane-1-carboxamide is O=C(NCCCN1CCNCC1)C1(c2ccccc2)CCCC1.
What is the InChIKey of 1-phenyl-N-(3-piperazin-1-ylpropyl)cyclopentane-1-carboxamide?
The InChIKey is KMBNPFQVMRTTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c23-18(21-11-6-14-22-15-12-20-13-16-22)19(9-4-5-10-19)17-7-2-1-3-8-17/h1-3,7-8,20H,4-6,9-16H2,(H,21,23).
What are the key properties of 1-phenyl-N-(3-piperazin-1-ylpropyl)cyclopentane-1-carboxamide?
1-phenyl-N-(3-piperazin-1-ylpropyl)cyclopentane-1-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(3-piperazin-1-ylpropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 119393727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).