2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone

C19H28FN3O2 — CID 72869087

IUPAC2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone
SMILESCN(C)C(C(=O)N1CCC(N2CCOCC2)CC1)c1cccc(F)c1
InChIInChI=1S/C19H28FN3O2/c1-21(2)18(15-4-3-5-16(20)14-15)19(24)23-8-6-17(7-9-23)22-10-12-25-13-11-22/h3-5,14,17-18H,6-13H2,1-2H3
InChIKeyWVVSSMONCZYUNO-UHFFFAOYSA-N
MW349.45 g/mol
LogP1.75
Rot. Bonds4

About 2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone

2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone (PubChem CID 72869087) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone
PubChem CID72869087
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC Name2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone
SMILESCN(C)C(C(=O)N1CCC(N2CCOCC2)CC1)c1cccc(F)c1
InChIInChI=1S/C19H28FN3O2/c1-21(2)18(15-4-3-5-16(20)14-15)19(24)23-8-6-17(7-9-23)22-10-12-25-13-11-22/h3-5,14,17-18H,6-13H2,1-2H3
InChIKeyWVVSSMONCZYUNO-UHFFFAOYSA-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-morpholin-4-ylpiperidin-1-yl)ethanone
CID 97196934
1-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)acetyl]piperidine-4-carbonitrile
CID 97205777
(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-thiomorpholin-4-ylethanone
CID 97199367
1-(4,4-difluoropiperidin-1-yl)-2-(dimethylamino)-2-(3-fluorophenyl)ethanone
CID 72898908
(2S)-1-(4-acetyl-1,4-diazepan-1-yl)-2-(dimethylamino)-2-(3-fluorophenyl)ethanone
CID 97193247
2-(dimethylamino)-1-[4-(ethoxymethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 72894693
2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 72849565
ethyl 4-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)acetyl]piperazine-1-carboxylate
CID 97189636
(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 97198728
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111726254
(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 97199090
(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]ethanone
CID 97187875

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone (CID 72869087) is 2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone is CN(C)C(C(=O)N1CCC(N2CCOCC2)CC1)c1cccc(F)c1.
What is the InChIKey of 2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone?
The InChIKey is WVVSSMONCZYUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-21(2)18(15-4-3-5-16(20)14-15)19(24)23-8-6-17(7-9-23)22-10-12-25-13-11-22/h3-5,14,17-18H,6-13H2,1-2H3.
What are the key properties of 2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone?
2-(dimethylamino)-2-(3-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 2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 72869087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).