1-(4-fluorophenyl)-N-(3-piperazin-1-ylpropyl)cyclopropane-1-carboxamide

C17H24FN3O — CID 119394382

IUPAC1-(4-fluorophenyl)-N-(3-piperazin-1-ylpropyl)cyclopropane-1-carboxamide
SMILESO=C(NCCCN1CCNCC1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FN3O/c18-15-4-2-14(3-5-15)17(6-7-17)16(22)20-8-1-11-21-12-9-19-10-13-21/h2-5,19H,1,6-13H2,(H,20,22)
InChIKeySKNWDIMRLUPJNO-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.27
Rot. Bonds6

About 1-(4-fluorophenyl)-N-(3-piperazin-1-ylpropyl)cyclopropane-1-carboxamide

1-(4-fluorophenyl)-N-(3-piperazin-1-ylpropyl)cyclopropane-1-carboxamide (PubChem CID 119394382) has the molecular formula C17H24FN3O and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(3-piperazin-1-ylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(3-piperazin-1-ylpropyl)cyclopropane-1-carboxamide
PubChem CID119394382
Molecular FormulaC17H24FN3O
Molecular Weight305.40 g/mol
Exact Mass305.19
IUPAC Name1-(4-fluorophenyl)-N-(3-piperazin-1-ylpropyl)cyclopropane-1-carboxamide
SMILESO=C(NCCCN1CCNCC1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FN3O/c18-15-4-2-14(3-5-15)17(6-7-17)16(22)20-8-1-11-21-12-9-19-10-13-21/h2-5,19H,1,6-13H2,(H,20,22)
InChIKeySKNWDIMRLUPJNO-UHFFFAOYSA-N
XLogP1.27
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.27
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-(3-piperazin-1-ylpropyl)cyclopentane-1-carboxamide
CID 119393727
1-phenyl-N-(2-piperazin-1-ylethyl)cyclopentane-1-carboxamide
CID 119448297
1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
CID 37392369
1-(3-methylphenyl)-N-(3-piperazin-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119393940
4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119391611
1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclopropane-1-carboxamide
CID 86985105
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119394449
[1-(4-fluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119403724
2,3,4-trifluoro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392644
3-(4-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391711
2-(4-fluorobenzoyl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390823
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(3-piperazin-1-ylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(3-piperazin-1-ylpropyl)cyclopropane-1-carboxamide (CID 119394382) is 1-(4-fluorophenyl)-N-(3-piperazin-1-ylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(3-piperazin-1-ylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(3-piperazin-1-ylpropyl)cyclopropane-1-carboxamide is O=C(NCCCN1CCNCC1)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(3-piperazin-1-ylpropyl)cyclopropane-1-carboxamide?
The InChIKey is SKNWDIMRLUPJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O/c18-15-4-2-14(3-5-15)17(6-7-17)16(22)20-8-1-11-21-12-9-19-10-13-21/h2-5,19H,1,6-13H2,(H,20,22).
What are the key properties of 1-(4-fluorophenyl)-N-(3-piperazin-1-ylpropyl)cyclopropane-1-carboxamide?
1-(4-fluorophenyl)-N-(3-piperazin-1-ylpropyl)cyclopropane-1-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(3-piperazin-1-ylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 119394382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).