[3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone

C19H22N2O3 — CID 91832951

IUPAC[3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone
SMILESCC(C)(O)c1cncc(-c2cccc(C(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C19H22N2O3/c1-19(2,23)17-11-16(12-20-13-17)14-4-3-5-15(10-14)18(22)21-6-8-24-9-7-21/h3-5,10-13,23H,6-9H2,1-2H3
InChIKeyOESMEZJFXGEYLR-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.45
Rot. Bonds3

About [3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone

[3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone (PubChem CID 91832951) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is [3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone
PubChem CID91832951
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name[3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone
SMILESCC(C)(O)c1cncc(-c2cccc(C(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C19H22N2O3/c1-19(2,23)17-11-16(12-20-13-17)14-4-3-5-15(10-14)18(22)21-6-8-24-9-7-21/h3-5,10-13,23H,6-9H2,1-2H3
InChIKeyOESMEZJFXGEYLR-UHFFFAOYSA-N
XLogP2.45
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[5-(morpholine-4-carbonyl)-3-pyridinyl]phenyl]ethanone
CID 42845751
[3-(4-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 2428040
morpholin-4-yl-[3-(2H-tetrazol-5-yl)phenyl]methanone
CID 60667374
morpholin-4-yl-[3-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone
CID 59699864
[2-(5-methyl-3-pyridinyl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 74233897
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
[3-(3,3-dimethylbutyl)phenyl]-morpholin-4-ylmethanone
CID 147198706
[5-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 109228524
N-[2,6-di(propan-2-yl)phenyl]-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103857
[3-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone
CID 50778885
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
1-(2,2-dimethylpropyl)-3-methyl-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]imidazo[4,5-b]pyridin-2-one
CID 54761745

Frequently Asked Questions

What is the IUPAC name of [3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone (CID 91832951) is [3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone is CC(C)(O)c1cncc(-c2cccc(C(=O)N3CCOCC3)c2)c1.
What is the InChIKey of [3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is OESMEZJFXGEYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-19(2,23)17-11-16(12-20-13-17)14-4-3-5-15(10-14)18(22)21-6-8-24-9-7-21/h3-5,10-13,23H,6-9H2,1-2H3.
What are the key properties of [3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone?
[3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 326.40 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 91832951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).