(3S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-morpholin-4-ylpiperidin-2-one

C16H20ClFN2O2 — CID 95990935

IUPAC(3S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-morpholin-4-ylpiperidin-2-one
SMILESO=C1[C@@H](N2CCOCC2)CCCN1Cc1c(F)cccc1Cl
InChIInChI=1S/C16H20ClFN2O2/c17-13-3-1-4-14(18)12(13)11-20-6-2-5-15(16(20)21)19-7-9-22-10-8-19/h1,3-4,15H,2,5-11H2/t15-/m0/s1
InChIKeyMOTVUQQJYAZTLA-HNNXBMFYSA-N
MW326.80 g/mol
LogP2.30
Rot. Bonds3

About (3S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-morpholin-4-ylpiperidin-2-one

(3S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-morpholin-4-ylpiperidin-2-one (PubChem CID 95990935) has the molecular formula C16H20ClFN2O2 and a molecular weight of 326.80 g/mol. Its IUPAC name is (3S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-morpholin-4-ylpiperidin-2-one.

Molecular Properties

Compound Name(3S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-morpholin-4-ylpiperidin-2-one
PubChem CID95990935
Molecular FormulaC16H20ClFN2O2
Molecular Weight326.80 g/mol
Exact Mass326.12
IUPAC Name(3S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-morpholin-4-ylpiperidin-2-one
SMILESO=C1[C@@H](N2CCOCC2)CCCN1Cc1c(F)cccc1Cl
InChIInChI=1S/C16H20ClFN2O2/c17-13-3-1-4-14(18)12(13)11-20-6-2-5-15(16(20)21)19-7-9-22-10-8-19/h1,3-4,15H,2,5-11H2/t15-/m0/s1
InChIKeyMOTVUQQJYAZTLA-HNNXBMFYSA-N
XLogP2.30
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-morpholin-4-ylpiperidin-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

4-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]morpholine
CID 171691361
(3S)-3-morpholin-4-yl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-one
CID 95990939
1-[(2-chloro-6-fluorophenyl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 64881774
1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-ol
CID 24905047
5-[(2-chloro-6-fluorophenyl)methyl]-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile
CID 3712130
4-[[4-[(2-chloro-6-fluorophenyl)methyl]-1,2,3,3a-tetrahydropyrrolo[1,2-a]benzimidazol-6-yl]sulfonyl]morpholine
CID 4798136
2-(2-chloro-6-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 78785496
1-[(2-chloro-6-fluorophenyl)methyl]-3-propylpiperazine-2,5-dione
CID 64880744
(2R)-1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119914097
[(3S,4R)-1-[(2-chloro-6-fluorophenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 133122079
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidin-2-one
CID 71836749
[(2R)-2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]azepan-1-yl]-(oxan-4-yl)methanone
CID 95333643

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-morpholin-4-ylpiperidin-2-one?
The IUPAC name of (3S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-morpholin-4-ylpiperidin-2-one (CID 95990935) is (3S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-morpholin-4-ylpiperidin-2-one.
What is the SMILES notation for (3S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-morpholin-4-ylpiperidin-2-one?
The canonical SMILES for (3S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-morpholin-4-ylpiperidin-2-one is O=C1[C@@H](N2CCOCC2)CCCN1Cc1c(F)cccc1Cl.
What is the InChIKey of (3S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-morpholin-4-ylpiperidin-2-one?
The InChIKey is MOTVUQQJYAZTLA-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20ClFN2O2/c17-13-3-1-4-14(18)12(13)11-20-6-2-5-15(16(20)21)19-7-9-22-10-8-19/h1,3-4,15H,2,5-11H2/t15-/m0/s1.
What are the key properties of (3S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-morpholin-4-ylpiperidin-2-one?
(3S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-morpholin-4-ylpiperidin-2-one has a molecular weight of 326.80 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-morpholin-4-ylpiperidin-2-one is sourced from PubChem (CID 95990935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).