6-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one

C20H27F2N3O2 — CID 163200007

IUPAC6-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one
SMILESC[C@@H]1COCCN1C1CC(=O)NC(N2CCC[C@H]2c2cc(F)ccc2F)C1
InChIInChI=1S/C20H27F2N3O2/c1-13-12-27-8-7-24(13)15-10-19(23-20(26)11-15)25-6-2-3-18(25)16-9-14(21)4-5-17(16)22/h4-5,9,13,15,18-19H,2-3,6-8,10-12H2,1H3,(H,23,26)/t13-,15?,18+,19?/m1/s1
InChIKeyOQLUQXKOCXOQGQ-XQASPSEFSA-N
MW379.45 g/mol
LogP2.43
Rot. Bonds3

About 6-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one

6-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one (PubChem CID 163200007) has the molecular formula C20H27F2N3O2 and a molecular weight of 379.45 g/mol. Its IUPAC name is 6-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one.

Molecular Properties

Compound Name6-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one
PubChem CID163200007
Molecular FormulaC20H27F2N3O2
Molecular Weight379.45 g/mol
Exact Mass379.21
IUPAC Name6-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one
SMILESC[C@@H]1COCCN1C1CC(=O)NC(N2CCC[C@H]2c2cc(F)ccc2F)C1
InChIInChI=1S/C20H27F2N3O2/c1-13-12-27-8-7-24(13)15-10-19(23-20(26)11-15)25-6-2-3-18(25)16-9-14(21)4-5-17(16)22/h4-5,9,13,15,18-19H,2-3,6-8,10-12H2,1H3,(H,23,26)/t13-,15?,18+,19?/m1/s1
InChIKeyOQLUQXKOCXOQGQ-XQASPSEFSA-N
XLogP2.43
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one with MolForge

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Related Compounds

1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 4069380
1-morpholin-4-ylsulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 22552753
US9133168, Example 6a
CID 118988726
US9133168, Example 10a
CID 118988727
US9133168, Example 32a
CID 118988732
US10285989, Example 132
CID 145996204
US11077113, Example 12
CID 162533422
US11179399, Example 13
CID 163200003
US11179399, Example 13_1
CID 163200004
US11179399, Example 13_2
CID 163200005
US11179399, Example 14
CID 163200006
US11179399, Example 14_2
CID 163200008

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
The IUPAC name of 6-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one (CID 163200007) is 6-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one.
What is the SMILES notation for 6-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
The canonical SMILES for 6-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one is C[C@@H]1COCCN1C1CC(=O)NC(N2CCC[C@H]2c2cc(F)ccc2F)C1.
What is the InChIKey of 6-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
The InChIKey is OQLUQXKOCXOQGQ-XQASPSEFSA-N. The full InChI is InChI=1S/C20H27F2N3O2/c1-13-12-27-8-7-24(13)15-10-19(23-20(26)11-15)25-6-2-3-18(25)16-9-14(21)4-5-17(16)22/h4-5,9,13,15,18-19H,2-3,6-8,10-12H2,1H3,(H,23,26)/t13-,15?,18+,19?/m1/s1.
What are the key properties of 6-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
6-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one has a molecular weight of 379.45 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one is sourced from PubChem (CID 163200007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).