6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one

C20H28FN3O2 — CID 163200003

IUPAC6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one
SMILESC[C@@H]1COCCN1C1CC(=O)NC(N2CCCC2c2cccc(F)c2)C1
InChIInChI=1S/C20H28FN3O2/c1-14-13-26-9-8-23(14)17-11-19(22-20(25)12-17)24-7-3-6-18(24)15-4-2-5-16(21)10-15/h2,4-5,10,14,17-19H,3,6-9,11-13H2,1H3,(H,22,25)/t14-,17?,18?,19?/m1/s1
InChIKeyRQABAPRIDLDYKD-ZJOYKNTBSA-N
MW361.46 g/mol
LogP2.29
Rot. Bonds3

About 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one

6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one (PubChem CID 163200003) has the molecular formula C20H28FN3O2 and a molecular weight of 361.46 g/mol. Its IUPAC name is 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one.

Molecular Properties

Compound Name6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one
PubChem CID163200003
Molecular FormulaC20H28FN3O2
Molecular Weight361.46 g/mol
Exact Mass361.22
IUPAC Name6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one
SMILESC[C@@H]1COCCN1C1CC(=O)NC(N2CCCC2c2cccc(F)c2)C1
InChIInChI=1S/C20H28FN3O2/c1-14-13-26-9-8-23(14)17-11-19(22-20(25)12-17)24-7-3-6-18(24)15-4-2-5-16(21)10-15/h2,4-5,10,14,17-19H,3,6-9,11-13H2,1H3,(H,22,25)/t14-,17?,18?,19?/m1/s1
InChIKeyRQABAPRIDLDYKD-ZJOYKNTBSA-N
XLogP2.29
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(Morpholine-4-carbonyl)-piperidin-4-yl]-benzamide
CID 645007
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
US10285989, Example 132
CID 145996204
US11077113, Example 12
CID 162533422
US11179399, Example 13_1
CID 163200004
US11179399, Example 13_2
CID 163200005
US11179399, Example 14
CID 163200006
US11179399, Example 14_1
CID 163200007
US11179399, Example 14_2
CID 163200008
US11179399, Example 16
CID 163200012
US11179399, Example 16_1
CID 163200013

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
The IUPAC name of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one (CID 163200003) is 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one.
What is the SMILES notation for 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
The canonical SMILES for 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one is C[C@@H]1COCCN1C1CC(=O)NC(N2CCCC2c2cccc(F)c2)C1.
What is the InChIKey of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
The InChIKey is RQABAPRIDLDYKD-ZJOYKNTBSA-N. The full InChI is InChI=1S/C20H28FN3O2/c1-14-13-26-9-8-23(14)17-11-19(22-20(25)12-17)24-7-3-6-18(24)15-4-2-5-16(21)10-15/h2,4-5,10,14,17-19H,3,6-9,11-13H2,1H3,(H,22,25)/t14-,17?,18?,19?/m1/s1.
What are the key properties of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one has a molecular weight of 361.46 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one is sourced from PubChem (CID 163200003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).