N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]benzamide

C21H24FN3O2 — CID 120737378

IUPACN-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]benzamide
SMILESO=C(NCCCC(=O)N1CCNCC1c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C21H24FN3O2/c22-18-9-4-8-17(14-18)19-15-23-12-13-25(19)20(26)10-5-11-24-21(27)16-6-2-1-3-7-16/h1-4,6-9,14,19,23H,5,10-13,15H2,(H,24,27)
InChIKeyMQUJVLOVRUBRBZ-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.51
Rot. Bonds6

About N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]benzamide

N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]benzamide (PubChem CID 120737378) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]benzamide
PubChem CID120737378
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC NameN-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]benzamide
SMILESO=C(NCCCC(=O)N1CCNCC1c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C21H24FN3O2/c22-18-9-4-8-17(14-18)19-15-23-12-13-25(19)20(26)10-5-11-24-21(27)16-6-2-1-3-7-16/h1-4,6-9,14,19,23H,5,10-13,15H2,(H,24,27)
InChIKeyMQUJVLOVRUBRBZ-UHFFFAOYSA-N
XLogP2.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.51
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-fluoro-N-[3-[2-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 120737596
N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride
CID 120736036
3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride
CID 120735890
5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide
CID 120737953
4-(3-acetylphenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]butan-1-one
CID 120737240
5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide
CID 120736864
1-[2-(3-fluorophenyl)piperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione
CID 120737260
2,4-difluoro-N-[4-oxo-4-(2-pyridin-3-ylpiperazin-1-yl)butyl]benzamide
CID 120732163
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride
CID 120737437
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one
CID 120737290
(3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 94997806
2-(4-fluorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736085

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]benzamide?
The IUPAC name of N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]benzamide (CID 120737378) is N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]benzamide is O=C(NCCCC(=O)N1CCNCC1c1cccc(F)c1)c1ccccc1.
What is the InChIKey of N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]benzamide?
The InChIKey is MQUJVLOVRUBRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c22-18-9-4-8-17(14-18)19-15-23-12-13-25(19)20(26)10-5-11-24-21(27)16-6-2-1-3-7-16/h1-4,6-9,14,19,23H,5,10-13,15H2,(H,24,27).
What are the key properties of N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]benzamide?
N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]benzamide has a molecular weight of 369.44 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]benzamide is sourced from PubChem (CID 120737378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).