3-(3,4-difluorophenyl)-1-[(3R)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]morpholin-4-yl]propan-1-one

C20H26F2N2O4 — CID 95882908

IUPAC3-(3,4-difluorophenyl)-1-[(3R)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]morpholin-4-yl]propan-1-one
SMILESO=C(C[C@@H]1COCCN1C(=O)CCc1ccc(F)c(F)c1)N1CCC(O)CC1
InChIInChI=1S/C20H26F2N2O4/c21-17-3-1-14(11-18(17)22)2-4-19(26)24-9-10-28-13-15(24)12-20(27)23-7-5-16(25)6-8-23/h1,3,11,15-16,25H,2,4-10,12-13H2/t15-/m1/s1
InChIKeyAPZRPRMMWSMBOG-OAHLLOKOSA-N
MW396.43 g/mol
LogP1.50
Rot. Bonds5

About 3-(3,4-difluorophenyl)-1-[(3R)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]morpholin-4-yl]propan-1-one

3-(3,4-difluorophenyl)-1-[(3R)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]morpholin-4-yl]propan-1-one (PubChem CID 95882908) has the molecular formula C20H26F2N2O4 and a molecular weight of 396.43 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-1-[(3R)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-1-[(3R)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]morpholin-4-yl]propan-1-one
PubChem CID95882908
Molecular FormulaC20H26F2N2O4
Molecular Weight396.43 g/mol
Exact Mass396.19
IUPAC Name3-(3,4-difluorophenyl)-1-[(3R)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]morpholin-4-yl]propan-1-one
SMILESO=C(C[C@@H]1COCCN1C(=O)CCc1ccc(F)c(F)c1)N1CCC(O)CC1
InChIInChI=1S/C20H26F2N2O4/c21-17-3-1-14(11-18(17)22)2-4-19(26)24-9-10-28-13-15(24)12-20(27)23-7-5-16(25)6-8-23/h1,3,11,15-16,25H,2,4-10,12-13H2/t15-/m1/s1
InChIKeyAPZRPRMMWSMBOG-OAHLLOKOSA-N
XLogP1.50
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-difluorophenyl)-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43428977
3-(3,4-difluorophenyl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-one
CID 102737950
3-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylpropan-1-one
CID 139029147
(3S)-4-[2-(3,4-difluorophenyl)acetyl]morpholine-3-carboxylic acid
CID 124517346
3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)propan-1-one
CID 110631026
3-(3,4-difluorophenyl)-1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 129428086
3-(3,4-difluorophenyl)-1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]propan-1-one
CID 86951491
2-(3,4-difluorophenyl)-1-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]ethanone
CID 75503659
(3R)-N-(2,4-difluorophenyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)morpholine-4-carboxamide
CID 95867228
3-(3,4-difluorophenyl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one
CID 70742954
2-[(3S)-4-(3-pyridin-3-ylpropanoyl)morpholin-3-yl]acetic acid
CID 99625562
3-[3-(3,4-difluorophenyl)propanoyl]oxan-4-one
CID 169498865

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-1-[(3R)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(3,4-difluorophenyl)-1-[(3R)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]morpholin-4-yl]propan-1-one (CID 95882908) is 3-(3,4-difluorophenyl)-1-[(3R)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(3,4-difluorophenyl)-1-[(3R)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(3,4-difluorophenyl)-1-[(3R)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]morpholin-4-yl]propan-1-one is O=C(C[C@@H]1COCCN1C(=O)CCc1ccc(F)c(F)c1)N1CCC(O)CC1.
What is the InChIKey of 3-(3,4-difluorophenyl)-1-[(3R)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]morpholin-4-yl]propan-1-one?
The InChIKey is APZRPRMMWSMBOG-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26F2N2O4/c21-17-3-1-14(11-18(17)22)2-4-19(26)24-9-10-28-13-15(24)12-20(27)23-7-5-16(25)6-8-23/h1,3,11,15-16,25H,2,4-10,12-13H2/t15-/m1/s1.
What are the key properties of 3-(3,4-difluorophenyl)-1-[(3R)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]morpholin-4-yl]propan-1-one?
3-(3,4-difluorophenyl)-1-[(3R)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]morpholin-4-yl]propan-1-one has a molecular weight of 396.43 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-1-[(3R)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 95882908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).