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

C19H25FN2O2 — CID 9374038

IUPAC(4S)-1-[2-(4-fluorophenyl)ethyl]-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESC[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C19H25FN2O2/c1-14-4-2-3-10-22(14)19(24)16-12-18(23)21(13-16)11-9-15-5-7-17(20)8-6-15/h5-8,14,16H,2-4,9-13H2,1H3/t14-,16+/m1/s1
InChIKeyDRQZQKJVHPGYRN-ZBFHGGJFSA-N
MW332.42 g/mol
LogP2.62
Rot. Bonds4

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

(4S)-1-[2-(4-fluorophenyl)ethyl]-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 9374038) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is (4S)-1-[2-(4-fluorophenyl)ethyl]-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-[2-(4-fluorophenyl)ethyl]-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID9374038
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name(4S)-1-[2-(4-fluorophenyl)ethyl]-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESC[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C19H25FN2O2/c1-14-4-2-3-10-22(14)19(24)16-12-18(23)21(13-16)11-9-15-5-7-17(20)8-6-15/h5-8,14,16H,2-4,9-13H2,1H3/t14-,16+/m1/s1
InChIKeyDRQZQKJVHPGYRN-ZBFHGGJFSA-N
XLogP2.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 6497413
(4S)-1-(4-fluorophenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 92850355
4-(2-methylpiperidine-1-carbonyl)-1-pentylpyrrolidin-2-one
CID 24720700
(4S)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one
CID 29056896
methyl 1-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
CID 6461917
N-cyclopentyl-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6497409
ethyl (3R)-1-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 9374364
(4R)-1-(2-phenylethyl)-4-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 97013354
(4R)-1-(2-phenylethyl)-4-[(2R)-2-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 97013355
1-[(2-methoxyphenyl)methyl]-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 46109903
(3R)-N-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 9373980
(4R)-1-(4-ethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9389079

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[2-(4-fluorophenyl)ethyl]-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-[2-(4-fluorophenyl)ethyl]-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one (CID 9374038) is (4S)-1-[2-(4-fluorophenyl)ethyl]-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-[2-(4-fluorophenyl)ethyl]-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-[2-(4-fluorophenyl)ethyl]-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one is C[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1.
What is the InChIKey of (4S)-1-[2-(4-fluorophenyl)ethyl]-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is DRQZQKJVHPGYRN-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H25FN2O2/c1-14-4-2-3-10-22(14)19(24)16-12-18(23)21(13-16)11-9-15-5-7-17(20)8-6-15/h5-8,14,16H,2-4,9-13H2,1H3/t14-,16+/m1/s1.
What are the key properties of (4S)-1-[2-(4-fluorophenyl)ethyl]-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
(4S)-1-[2-(4-fluorophenyl)ethyl]-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 332.42 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[2-(4-fluorophenyl)ethyl]-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 9374038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).