4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide

C18H27FN4O2 — CID 119391611

IUPAC4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(F)cc1)NCCCN1CCNCC1
InChIInChI=1S/C18H27FN4O2/c19-16-6-4-15(5-7-16)18(25)22-8-1-3-17(24)21-9-2-12-23-13-10-20-11-14-23/h4-7,20H,1-3,8-14H2,(H,21,24)(H,22,25)
InChIKeyKCQZOVCVWUXCGW-UHFFFAOYSA-N
MW350.44 g/mol
LogP0.75
Rot. Bonds9

About 4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide

4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide (PubChem CID 119391611) has the molecular formula C18H27FN4O2 and a molecular weight of 350.44 g/mol. Its IUPAC name is 4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
PubChem CID119391611
Molecular FormulaC18H27FN4O2
Molecular Weight350.44 g/mol
Exact Mass350.21
IUPAC Name4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(F)cc1)NCCCN1CCNCC1
InChIInChI=1S/C18H27FN4O2/c19-16-6-4-15(5-7-16)18(25)22-8-1-3-17(24)21-9-2-12-23-13-10-20-11-14-23/h4-7,20H,1-3,8-14H2,(H,21,24)(H,22,25)
InChIKeyKCQZOVCVWUXCGW-UHFFFAOYSA-N
XLogP0.75
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119394389
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119391119
4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390747
3-(4-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391711
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]naphthalene-2-carboxamide;hydrochloride
CID 119393815
N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]thiophene-3-carboxamide
CID 119446128
2-(4-fluorobenzoyl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390823
4-chloro-N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-4-oxobutyl]benzamide
CID 34989376
N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride
CID 119393183
3-bromo-5-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443290
3-hydroxy-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443390

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide (CID 119391611) is 4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide is O=C(CCCNC(=O)c1ccc(F)cc1)NCCCN1CCNCC1.
What is the InChIKey of 4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide?
The InChIKey is KCQZOVCVWUXCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN4O2/c19-16-6-4-15(5-7-16)18(25)22-8-1-3-17(24)21-9-2-12-23-13-10-20-11-14-23/h4-7,20H,1-3,8-14H2,(H,21,24)(H,22,25).
What are the key properties of 4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide?
4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide has a molecular weight of 350.44 g/mol, XLogP of 0.75, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide is sourced from PubChem (CID 119391611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).