2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C22H25FN4O2 — CID 120757093

IUPAC2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(CN1CCNCC1c1cccc(F)c1)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C22H25FN4O2/c23-17-6-3-5-16(13-17)20-14-24-10-12-26(20)15-21(28)25-18-7-1-2-8-19(18)27-11-4-9-22(27)29/h1-3,5-8,13,20,24H,4,9-12,14-15H2,(H,25,28)
InChIKeyRTJZBPBVQDZXPD-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.54
Rot. Bonds5

About 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 120757093) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID120757093
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(CN1CCNCC1c1cccc(F)c1)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C22H25FN4O2/c23-17-6-3-5-16(13-17)20-14-24-10-12-26(20)15-21(28)25-18-7-1-2-8-19(18)27-11-4-9-22(27)29/h1-3,5-8,13,20,24H,4,9-12,14-15H2,(H,25,28)
InChIKeyRTJZBPBVQDZXPD-UHFFFAOYSA-N
XLogP2.54
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756344
N-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756678
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 120871180
2-[2-(3-methylphenyl)pyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 55917018
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-[(2S)-2-phenylpyrrolidin-1-yl]acetamide
CID 41359869
N-(2,5-dimethylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756812
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)acetamide
CID 120756569
N-(2,6-dichlorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756950
N-(4-chloro-2-methylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120757048
N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756405
4-fluoro-N-[1-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 60548636
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 120756456

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 120757093) is 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide is O=C(CN1CCNCC1c1cccc(F)c1)Nc1ccccc1N1CCCC1=O.
What is the InChIKey of 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is RTJZBPBVQDZXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c23-17-6-3-5-16(13-17)20-14-24-10-12-26(20)15-21(28)25-18-7-1-2-8-19(18)27-11-4-9-22(27)29/h1-3,5-8,13,20,24H,4,9-12,14-15H2,(H,25,28).
What are the key properties of 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 396.47 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 120757093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).