3-[[(3R)-3-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-1H-quinolin-2-one

C22H20F2N2O2 — CID 95502220

IUPAC3-[[(3R)-3-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
SMILESO=C(c1cc(F)ccc1F)[C@@H]1CCCN(Cc2cc3ccccc3[nH]c2=O)C1
InChIInChI=1S/C22H20F2N2O2/c23-17-7-8-19(24)18(11-17)21(27)15-5-3-9-26(12-15)13-16-10-14-4-1-2-6-20(14)25-22(16)28/h1-2,4,6-8,10-11,15H,3,5,9,12-13H2,(H,25,28)/t15-/m1/s1
InChIKeyPFFMGRPSGXJMGX-OAHLLOKOSA-N
MW382.41 g/mol
LogP3.90
Rot. Bonds4

About 3-[[(3R)-3-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-1H-quinolin-2-one

3-[[(3R)-3-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-1H-quinolin-2-one (PubChem CID 95502220) has the molecular formula C22H20F2N2O2 and a molecular weight of 382.41 g/mol. Its IUPAC name is 3-[[(3R)-3-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(3R)-3-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
PubChem CID95502220
Molecular FormulaC22H20F2N2O2
Molecular Weight382.41 g/mol
Exact Mass382.15
IUPAC Name3-[[(3R)-3-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
SMILESO=C(c1cc(F)ccc1F)[C@@H]1CCCN(Cc2cc3ccccc3[nH]c2=O)C1
InChIInChI=1S/C22H20F2N2O2/c23-17-7-8-19(24)18(11-17)21(27)15-5-3-9-26(12-15)13-16-10-14-4-1-2-6-20(14)25-22(16)28/h1-2,4,6-8,10-11,15H,3,5,9,12-13H2,(H,25,28)/t15-/m1/s1
InChIKeyPFFMGRPSGXJMGX-OAHLLOKOSA-N
XLogP3.90
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[(3R)-3-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-1H-quinolin-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

[(3S)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]-(2,5-difluorophenyl)methanone
CID 42346116
1-ethyl-3-[[(3S)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea
CID 95198920
1-ethyl-3-[[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea
CID 95198921
(3S)-1-[(2,5-difluorophenyl)methyl]piperidine-3-carboxylic acid
CID 24904996
7-methyl-3-[[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 56751376
2-[[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]benzonitrile
CID 95550185
3-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 110019820
1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylic acid
CID 4555188
1-[(4-fluoro-2-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 178133859
6-methyl-3-[[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 56702126
6-methyl-3-[[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 95190113
3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 126768056

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-3-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[(3R)-3-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-1H-quinolin-2-one (CID 95502220) is 3-[[(3R)-3-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(3R)-3-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[(3R)-3-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-1H-quinolin-2-one is O=C(c1cc(F)ccc1F)[C@@H]1CCCN(Cc2cc3ccccc3[nH]c2=O)C1.
What is the InChIKey of 3-[[(3R)-3-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-1H-quinolin-2-one?
The InChIKey is PFFMGRPSGXJMGX-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H20F2N2O2/c23-17-7-8-19(24)18(11-17)21(27)15-5-3-9-26(12-15)13-16-10-14-4-1-2-6-20(14)25-22(16)28/h1-2,4,6-8,10-11,15H,3,5,9,12-13H2,(H,25,28)/t15-/m1/s1.
What are the key properties of 3-[[(3R)-3-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-1H-quinolin-2-one?
3-[[(3R)-3-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-1H-quinolin-2-one has a molecular weight of 382.41 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-3-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 95502220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).