(4S)-1-(4-fluorophenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one

C17H21FN2O2 — CID 92850355

IUPAC(4S)-1-(4-fluorophenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESC[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C17H21FN2O2/c1-12-4-2-3-9-19(12)17(22)13-10-16(21)20(11-13)15-7-5-14(18)6-8-15/h5-8,12-13H,2-4,9-11H2,1H3/t12-,13+/m1/s1
InChIKeyQRJBEMMHDFFHAN-OLZOCXBDSA-N
MW304.36 g/mol
LogP2.58
Rot. Bonds2

About (4S)-1-(4-fluorophenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one

(4S)-1-(4-fluorophenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 92850355) has the molecular formula C17H21FN2O2 and a molecular weight of 304.36 g/mol. Its IUPAC name is (4S)-1-(4-fluorophenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(4-fluorophenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID92850355
Molecular FormulaC17H21FN2O2
Molecular Weight304.36 g/mol
Exact Mass304.16
IUPAC Name(4S)-1-(4-fluorophenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESC[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C17H21FN2O2/c1-12-4-2-3-9-19(12)17(22)13-10-16(21)20(11-13)15-7-5-14(18)6-8-15/h5-8,12-13H,2-4,9-11H2,1H3/t12-,13+/m1/s1
InChIKeyQRJBEMMHDFFHAN-OLZOCXBDSA-N
XLogP2.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-1-(4-ethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9389079
N-[4-[(4S)-4-[(2R)-2-methylpiperidine-1-carbonyl]-2-oxopyrrolidin-1-yl]phenyl]acetamide
CID 27210941
1-(3-chloro-4-fluorophenyl)-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17225373
(4R)-1-(4-methylphenyl)-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 9375191
(4S)-1-[2-(4-fluorophenyl)ethyl]-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9374038
(4R)-1-(4-fluorophenyl)-4-[(3S)-3-(4-fluorophenyl)azepane-1-carbonyl]pyrrolidin-2-one
CID 99979673
(4S)-1-(2,3-dimethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 51873328
4-(2,6-dimethylmorpholine-4-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one
CID 17310611
4-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 90564592
(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 6935573
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 119437039
1-(3,4-difluorophenyl)-4-(2-ethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 113192409

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(4-fluorophenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-(4-fluorophenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one (CID 92850355) is (4S)-1-(4-fluorophenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(4-fluorophenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(4-fluorophenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one is C[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of (4S)-1-(4-fluorophenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is QRJBEMMHDFFHAN-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-12-4-2-3-9-19(12)17(22)13-10-16(21)20(11-13)15-7-5-14(18)6-8-15/h5-8,12-13H,2-4,9-11H2,1H3/t12-,13+/m1/s1.
What are the key properties of (4S)-1-(4-fluorophenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
(4S)-1-(4-fluorophenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 304.36 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(4-fluorophenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 92850355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).