1-[(3S)-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-3-yl]pyrrolidin-2-one

C18H23FN2O2 — CID 95463875

IUPAC1-[(3S)-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-3-yl]pyrrolidin-2-one
SMILESO=C(CCN1CCC[C@H](N2CCCC2=O)C1)c1ccc(F)cc1
InChIInChI=1S/C18H23FN2O2/c19-15-7-5-14(6-8-15)17(22)9-12-20-10-1-3-16(13-20)21-11-2-4-18(21)23/h5-8,16H,1-4,9-13H2/t16-/m0/s1
InChIKeyIBQMGKSAUXGWIP-INIZCTEOSA-N
MW318.39 g/mol
LogP2.49
Rot. Bonds5

About 1-[(3S)-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-3-yl]pyrrolidin-2-one

1-[(3S)-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-3-yl]pyrrolidin-2-one (PubChem CID 95463875) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 1-[(3S)-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3S)-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-3-yl]pyrrolidin-2-one
PubChem CID95463875
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name1-[(3S)-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-3-yl]pyrrolidin-2-one
SMILESO=C(CCN1CCC[C@H](N2CCCC2=O)C1)c1ccc(F)cc1
InChIInChI=1S/C18H23FN2O2/c19-15-7-5-14(6-8-15)17(22)9-12-20-10-1-3-16(13-20)21-11-2-4-18(21)23/h5-8,16H,1-4,9-13H2/t16-/m0/s1
InChIKeyIBQMGKSAUXGWIP-INIZCTEOSA-N
XLogP2.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(3S)-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-3-yl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(4-fluorophenyl)-3-oxopropyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82855659
1-cyclopentyl-3-[3-(4-fluorophenyl)-3-oxopropyl]imidazolidine-2,4-dione
CID 167776034
1-[1-(5-hydroxypentyl)piperidin-3-yl]pyrrolidin-2-one
CID 111116676
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)propan-1-one
CID 43793238
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(4-fluorophenyl)butan-1-one;hydron;dichloride
CID 91986243
N-ethyl-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-3-carboxamide
CID 75472604
1-(4-fluorophenyl)-3-[(2R)-2-[(2R)-oxolan-2-yl]morpholin-4-yl]propan-1-one
CID 124776743
1-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one
CID 143425472
4-tert-butyl-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrrolidin-2-one
CID 104512227
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-bromophenyl)propan-1-one
CID 79919095
3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-fluorophenyl)propan-1-one
CID 43793154
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 52997576

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(3S)-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-3-yl]pyrrolidin-2-one (CID 95463875) is 1-[(3S)-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(3S)-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(3S)-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-3-yl]pyrrolidin-2-one is O=C(CCN1CCC[C@H](N2CCCC2=O)C1)c1ccc(F)cc1.
What is the InChIKey of 1-[(3S)-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-3-yl]pyrrolidin-2-one?
The InChIKey is IBQMGKSAUXGWIP-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23FN2O2/c19-15-7-5-14(6-8-15)17(22)9-12-20-10-1-3-16(13-20)21-11-2-4-18(21)23/h5-8,16H,1-4,9-13H2/t16-/m0/s1.
What are the key properties of 1-[(3S)-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-3-yl]pyrrolidin-2-one?
1-[(3S)-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-3-yl]pyrrolidin-2-one has a molecular weight of 318.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 95463875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).