(4R,5R)-5-(4-fluorophenyl)-1-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one

C18H23FN2O2 — CID 124776857

IUPAC(4R,5R)-5-(4-fluorophenyl)-1-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESC[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)C1
InChIInChI=1S/C18H23FN2O2/c1-12-4-3-9-21(11-12)18(23)15-10-16(22)20(2)17(15)13-5-7-14(19)8-6-13/h5-8,12,15,17H,3-4,9-11H2,1-2H3/t12-,15-,17+/m1/s1
InChIKeyQOXKXSVNMHEYSA-VMGRFDJRSA-N
MW318.39 g/mol
LogP2.60
Rot. Bonds2

About (4R,5R)-5-(4-fluorophenyl)-1-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one

(4R,5R)-5-(4-fluorophenyl)-1-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 124776857) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is (4R,5R)-5-(4-fluorophenyl)-1-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-(4-fluorophenyl)-1-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID124776857
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name(4R,5R)-5-(4-fluorophenyl)-1-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESC[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)C1
InChIInChI=1S/C18H23FN2O2/c1-12-4-3-9-21(11-12)18(23)15-10-16(22)20(2)17(15)13-5-7-14(19)8-6-13/h5-8,12,15,17H,3-4,9-11H2,1-2H3/t12-,15-,17+/m1/s1
InChIKeyQOXKXSVNMHEYSA-VMGRFDJRSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S,5S)-1-methyl-5-(4-methylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 98881750
(4R,5R)-5-(4-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 95740393
5-(4-fluorophenyl)-1-methyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 71689611
(5S,6S)-5-(4-fluorophenyl)-4-methyl-6-[(3R)-3-methylpiperidine-1-carbonyl]morpholin-3-one
CID 97457634
(5R,6S)-5-(4-fluorophenyl)-4-methyl-6-[(3R)-3-methylpiperidine-1-carbonyl]morpholin-3-one
CID 98881799
1-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylic acid
CID 129402131
1-[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylic acid
CID 120512274
1-[(2S,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylic acid
CID 129402132
(4S,5S)-5-(4-fluorophenyl)-1-methyl-4-(thiomorpholine-4-carbonyl)pyrrolidin-2-one
CID 95740508
(4S,5R)-4-(azepane-1-carbonyl)-1-methyl-5-(4-methylphenyl)pyrrolidin-2-one
CID 97457246
(5S,6R)-6-(4-fluorophenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one
CID 97457697
(3S)-1-[(2R,3S)-1-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 125148744

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-(4-fluorophenyl)-1-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R,5R)-5-(4-fluorophenyl)-1-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one (CID 124776857) is (4R,5R)-5-(4-fluorophenyl)-1-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R,5R)-5-(4-fluorophenyl)-1-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R,5R)-5-(4-fluorophenyl)-1-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one is C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)C1.
What is the InChIKey of (4R,5R)-5-(4-fluorophenyl)-1-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is QOXKXSVNMHEYSA-VMGRFDJRSA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-12-4-3-9-21(11-12)18(23)15-10-16(22)20(2)17(15)13-5-7-14(19)8-6-13/h5-8,12,15,17H,3-4,9-11H2,1-2H3/t12-,15-,17+/m1/s1.
What are the key properties of (4R,5R)-5-(4-fluorophenyl)-1-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
(4R,5R)-5-(4-fluorophenyl)-1-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 318.39 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-(4-fluorophenyl)-1-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 124776857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).