1-(3-fluoro-4-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one

C18H23FN2O2 — CID 42939807

IUPAC1-(3-fluoro-4-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCCC(C)C3)CC2=O)cc1F
InChIInChI=1S/C18H23FN2O2/c1-12-4-3-7-20(10-12)18(23)14-8-17(22)21(11-14)15-6-5-13(2)16(19)9-15/h5-6,9,12,14H,3-4,7-8,10-11H2,1-2H3
InChIKeyGYAQKDSACHQGOV-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.75
Rot. Bonds2

About 1-(3-fluoro-4-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one

1-(3-fluoro-4-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 42939807) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
PubChem CID42939807
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name1-(3-fluoro-4-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCCC(C)C3)CC2=O)cc1F
InChIInChI=1S/C18H23FN2O2/c1-12-4-3-7-20(10-12)18(23)14-8-17(22)21(11-14)15-6-5-13(2)16(19)9-15/h5-6,9,12,14H,3-4,7-8,10-11H2,1-2H3
InChIKeyGYAQKDSACHQGOV-UHFFFAOYSA-N
XLogP2.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-1-(3,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9392063
(4S)-1-(3-chloro-4-methylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9351913
(4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 92719146
1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 17081750
(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378747
1-(4-fluoro-3-methylphenyl)-4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 110020269
1-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 6461557
1-(3,4-difluorophenyl)-4-(3-ethynylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 126822518
(4R)-1-(2,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 26615613
(4R)-1-(3,4-dimethylphenyl)-4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9392799
(3S)-1-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 120514003
(4R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95098786

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one (CID 42939807) is 1-(3-fluoro-4-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one is Cc1ccc(N2CC(C(=O)N3CCCC(C)C3)CC2=O)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is GYAQKDSACHQGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-12-4-3-7-20(10-12)18(23)14-8-17(22)21(11-14)15-6-5-13(2)16(19)9-15/h5-6,9,12,14H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one?
1-(3-fluoro-4-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 318.39 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 42939807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).