(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone

C19H28FN3O2 — CID 97196934

IUPAC(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone
SMILESCN(C)[C@H](C(=O)N1CCC(N2CCOCC2)CC1)c1ccccc1F
InChIInChI=1S/C19H28FN3O2/c1-21(2)18(16-5-3-4-6-17(16)20)19(24)23-9-7-15(8-10-23)22-11-13-25-14-12-22/h3-6,15,18H,7-14H2,1-2H3/t18-/m0/s1
InChIKeyUYPJSAQJPBRZSV-SFHVURJKSA-N
MW349.45 g/mol
LogP1.75
Rot. Bonds4

About (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone

(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone (PubChem CID 97196934) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone
PubChem CID97196934
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC Name(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone
SMILESCN(C)[C@H](C(=O)N1CCC(N2CCOCC2)CC1)c1ccccc1F
InChIInChI=1S/C19H28FN3O2/c1-21(2)18(16-5-3-4-6-17(16)20)19(24)23-9-7-15(8-10-23)22-11-13-25-14-12-22/h3-6,15,18H,7-14H2,1-2H3/t18-/m0/s1
InChIKeyUYPJSAQJPBRZSV-SFHVURJKSA-N
XLogP1.75
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone
CID 97206351
(2R)-2-(dimethylamino)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 97192808
2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone
CID 72869087
2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 146388962
2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 135253062
(2R)-2-(dimethylamino)-2-(2-methylphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone
CID 97192752
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 97133868
(2S)-1-[4-(azepan-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)-2-hydroxyethanone
CID 125171393
(2R)-2-amino-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one
CID 129371509
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylethanone;dihydrochloride
CID 120813896
9-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97148827
2-(dimethylamino)-2-(4-fluorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]acetamide
CID 72875264

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone?
The IUPAC name of (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone (CID 97196934) is (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone?
The canonical SMILES for (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone is CN(C)[C@H](C(=O)N1CCC(N2CCOCC2)CC1)c1ccccc1F.
What is the InChIKey of (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone?
The InChIKey is UYPJSAQJPBRZSV-SFHVURJKSA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-21(2)18(16-5-3-4-6-17(16)20)19(24)23-9-7-15(8-10-23)22-11-13-25-14-12-22/h3-6,15,18H,7-14H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone?
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone has a molecular weight of 349.45 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 97196934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).