4-(3,4-difluorophenyl)-N-(3-piperazin-1-ylpropyl)butanamide

C17H25F2N3O — CID 119392670

IUPAC4-(3,4-difluorophenyl)-N-(3-piperazin-1-ylpropyl)butanamide
SMILESO=C(CCCc1ccc(F)c(F)c1)NCCCN1CCNCC1
InChIInChI=1S/C17H25F2N3O/c18-15-6-5-14(13-16(15)19)3-1-4-17(23)21-7-2-10-22-11-8-20-9-12-22/h5-6,13,20H,1-4,7-12H2,(H,21,23)
InChIKeyWLJXUPGSNCQATF-UHFFFAOYSA-N
MW325.40 g/mol
LogP1.70
Rot. Bonds8

About 4-(3,4-difluorophenyl)-N-(3-piperazin-1-ylpropyl)butanamide

4-(3,4-difluorophenyl)-N-(3-piperazin-1-ylpropyl)butanamide (PubChem CID 119392670) has the molecular formula C17H25F2N3O and a molecular weight of 325.40 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-N-(3-piperazin-1-ylpropyl)butanamide.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-N-(3-piperazin-1-ylpropyl)butanamide
PubChem CID119392670
Molecular FormulaC17H25F2N3O
Molecular Weight325.40 g/mol
Exact Mass325.20
IUPAC Name4-(3,4-difluorophenyl)-N-(3-piperazin-1-ylpropyl)butanamide
SMILESO=C(CCCc1ccc(F)c(F)c1)NCCCN1CCNCC1
InChIInChI=1S/C17H25F2N3O/c18-15-6-5-14(13-16(15)19)3-1-4-17(23)21-7-2-10-22-11-8-20-9-12-22/h5-6,13,20H,1-4,7-12H2,(H,21,23)
InChIKeyWLJXUPGSNCQATF-UHFFFAOYSA-N
XLogP1.70
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 51.70
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

4-(3,4-difluorophenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119447099
2-(3-fluoro-4-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119390744
4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119391611
N-(3-piperazin-1-ylpropyl)-4-thiophen-2-ylbutanamide
CID 43443283
2-(4-butylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119394251
4-(4-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119444966
2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119393088
N-(3-piperazin-1-ylpropyl)-2-(4-sulfanylphenyl)acetamide
CID 107024029
3-(2,4-dimethylphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391223
4-(2,5-dimethylthiophen-3-yl)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119394631
3-[4-(methylsulfamoyl)phenyl]-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119393763
4-(5-bromothiophen-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119394190

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-N-(3-piperazin-1-ylpropyl)butanamide?
The IUPAC name of 4-(3,4-difluorophenyl)-N-(3-piperazin-1-ylpropyl)butanamide (CID 119392670) is 4-(3,4-difluorophenyl)-N-(3-piperazin-1-ylpropyl)butanamide.
What is the SMILES notation for 4-(3,4-difluorophenyl)-N-(3-piperazin-1-ylpropyl)butanamide?
The canonical SMILES for 4-(3,4-difluorophenyl)-N-(3-piperazin-1-ylpropyl)butanamide is O=C(CCCc1ccc(F)c(F)c1)NCCCN1CCNCC1.
What is the InChIKey of 4-(3,4-difluorophenyl)-N-(3-piperazin-1-ylpropyl)butanamide?
The InChIKey is WLJXUPGSNCQATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N3O/c18-15-6-5-14(13-16(15)19)3-1-4-17(23)21-7-2-10-22-11-8-20-9-12-22/h5-6,13,20H,1-4,7-12H2,(H,21,23).
What are the key properties of 4-(3,4-difluorophenyl)-N-(3-piperazin-1-ylpropyl)butanamide?
4-(3,4-difluorophenyl)-N-(3-piperazin-1-ylpropyl)butanamide has a molecular weight of 325.40 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-N-(3-piperazin-1-ylpropyl)butanamide is sourced from PubChem (CID 119392670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).