1-(3-fluorophenyl)-4-(3-methyl-2-oxopiperidine-3-carbonyl)piperazin-2-one

C17H20FN3O3 — CID 136536080

IUPAC1-(3-fluorophenyl)-4-(3-methyl-2-oxopiperidine-3-carbonyl)piperazin-2-one
SMILESCC1(C(=O)N2CCN(c3cccc(F)c3)C(=O)C2)CCCNC1=O
InChIInChI=1S/C17H20FN3O3/c1-17(6-3-7-19-15(17)23)16(24)20-8-9-21(14(22)11-20)13-5-2-4-12(18)10-13/h2,4-5,10H,3,6-9,11H2,1H3,(H,19,23)
InChIKeyDJSLPTNYIXUPEO-UHFFFAOYSA-N
MW333.36 g/mol
LogP0.92
Rot. Bonds2

About 1-(3-fluorophenyl)-4-(3-methyl-2-oxopiperidine-3-carbonyl)piperazin-2-one

1-(3-fluorophenyl)-4-(3-methyl-2-oxopiperidine-3-carbonyl)piperazin-2-one (PubChem CID 136536080) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-4-(3-methyl-2-oxopiperidine-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-4-(3-methyl-2-oxopiperidine-3-carbonyl)piperazin-2-one
PubChem CID136536080
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name1-(3-fluorophenyl)-4-(3-methyl-2-oxopiperidine-3-carbonyl)piperazin-2-one
SMILESCC1(C(=O)N2CCN(c3cccc(F)c3)C(=O)C2)CCCNC1=O
InChIInChI=1S/C17H20FN3O3/c1-17(6-3-7-19-15(17)23)16(24)20-8-9-21(14(22)11-20)13-5-2-4-12(18)10-13/h2,4-5,10H,3,6-9,11H2,1H3,(H,19,23)
InChIKeyDJSLPTNYIXUPEO-UHFFFAOYSA-N
XLogP0.92
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-4-[1-(trifluoromethyl)cyclobutanecarbonyl]piperazin-2-one
CID 171676116
1-(3-fluorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one
CID 120905183
4-[2-(3,4-difluorophenyl)propanoyl]-1-(3-fluorophenyl)piperazin-2-one
CID 166215217
1-(3-fluorophenyl)-4-[5-(1H-pyrazol-4-yl)pyridine-2-carbonyl]piperazin-2-one
CID 167896393
1-(3-fluorophenyl)-4-methyl-1,5-diazocan-2-one
CID 117015126
1-(3-fluorophenyl)-4-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonyl]piperazin-2-one
CID 146093531
4-[1-(4-fluorophenyl)cyclopropanecarbonyl]-1-(4-methoxyphenyl)piperazin-2-one
CID 70732476
2-(3-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074477
1-(3-fluorophenyl)-7,7-dimethyl-1,5-diazocan-2-one
CID 117014978
3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-3-methylpyrrolidin-2-one
CID 166249941
4-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 91836779
1-(3-fluorophenyl)-4-methylpiperazine-2,3-dione
CID 117026431

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-4-(3-methyl-2-oxopiperidine-3-carbonyl)piperazin-2-one?
The IUPAC name of 1-(3-fluorophenyl)-4-(3-methyl-2-oxopiperidine-3-carbonyl)piperazin-2-one (CID 136536080) is 1-(3-fluorophenyl)-4-(3-methyl-2-oxopiperidine-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-(3-fluorophenyl)-4-(3-methyl-2-oxopiperidine-3-carbonyl)piperazin-2-one?
The canonical SMILES for 1-(3-fluorophenyl)-4-(3-methyl-2-oxopiperidine-3-carbonyl)piperazin-2-one is CC1(C(=O)N2CCN(c3cccc(F)c3)C(=O)C2)CCCNC1=O.
What is the InChIKey of 1-(3-fluorophenyl)-4-(3-methyl-2-oxopiperidine-3-carbonyl)piperazin-2-one?
The InChIKey is DJSLPTNYIXUPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-17(6-3-7-19-15(17)23)16(24)20-8-9-21(14(22)11-20)13-5-2-4-12(18)10-13/h2,4-5,10H,3,6-9,11H2,1H3,(H,19,23).
What are the key properties of 1-(3-fluorophenyl)-4-(3-methyl-2-oxopiperidine-3-carbonyl)piperazin-2-one?
1-(3-fluorophenyl)-4-(3-methyl-2-oxopiperidine-3-carbonyl)piperazin-2-one has a molecular weight of 333.36 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-4-(3-methyl-2-oxopiperidine-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 136536080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).