(3R,5S)-5-[4-(2-fluorophenyl)phenyl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one

C23H27FN2O — CID 44565208

IUPAC(3R,5S)-5-[4-(2-fluorophenyl)phenyl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
SMILESCN1C(=O)[C@@H](CN2CCCCC2)C[C@H]1c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C23H27FN2O/c1-25-22(15-19(23(25)27)16-26-13-5-2-6-14-26)18-11-9-17(10-12-18)20-7-3-4-8-21(20)24/h3-4,7-12,19,22H,2,5-6,13-16H2,1H3/t19-,22+/m1/s1
InChIKeyGYFKLQQEFVYNDD-KNQAVFIVSA-N
MW366.48 g/mol
LogP4.50
Rot. Bonds4

About (3R,5S)-5-[4-(2-fluorophenyl)phenyl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one

(3R,5S)-5-[4-(2-fluorophenyl)phenyl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one (PubChem CID 44565208) has the molecular formula C23H27FN2O and a molecular weight of 366.48 g/mol. Its IUPAC name is (3R,5S)-5-[4-(2-fluorophenyl)phenyl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R,5S)-5-[4-(2-fluorophenyl)phenyl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
PubChem CID44565208
Molecular FormulaC23H27FN2O
Molecular Weight366.48 g/mol
Exact Mass366.21
IUPAC Name(3R,5S)-5-[4-(2-fluorophenyl)phenyl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
SMILESCN1C(=O)[C@@H](CN2CCCCC2)C[C@H]1c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C23H27FN2O/c1-25-22(15-19(23(25)27)16-26-13-5-2-6-14-26)18-11-9-17(10-12-18)20-7-3-4-8-21(20)24/h3-4,7-12,19,22H,2,5-6,13-16H2,1H3/t19-,22+/m1/s1
InChIKeyGYFKLQQEFVYNDD-KNQAVFIVSA-N
XLogP4.50
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[4-(2-fluorophenyl)phenyl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one?
The IUPAC name of (3R,5S)-5-[4-(2-fluorophenyl)phenyl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one (CID 44565208) is (3R,5S)-5-[4-(2-fluorophenyl)phenyl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for (3R,5S)-5-[4-(2-fluorophenyl)phenyl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for (3R,5S)-5-[4-(2-fluorophenyl)phenyl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one is CN1C(=O)[C@@H](CN2CCCCC2)C[C@H]1c1ccc(-c2ccccc2F)cc1.
What is the InChIKey of (3R,5S)-5-[4-(2-fluorophenyl)phenyl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one?
The InChIKey is GYFKLQQEFVYNDD-KNQAVFIVSA-N. The full InChI is InChI=1S/C23H27FN2O/c1-25-22(15-19(23(25)27)16-26-13-5-2-6-14-26)18-11-9-17(10-12-18)20-7-3-4-8-21(20)24/h3-4,7-12,19,22H,2,5-6,13-16H2,1H3/t19-,22+/m1/s1.
What are the key properties of (3R,5S)-5-[4-(2-fluorophenyl)phenyl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one?
(3R,5S)-5-[4-(2-fluorophenyl)phenyl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one has a molecular weight of 366.48 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[4-(2-fluorophenyl)phenyl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 44565208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).