1-morpholin-3-yl-3-pyridin-4-ylpropan-2-one

C12H16N2O2 — CID 116595856

IUPAC1-morpholin-3-yl-3-pyridin-4-ylpropan-2-one
SMILESO=C(Cc1ccncc1)CC1COCCN1
InChIInChI=1S/C12H16N2O2/c15-12(7-10-1-3-13-4-2-10)8-11-9-16-6-5-14-11/h1-4,11,14H,5-9H2
InChIKeyXJKMXINNCDFNSC-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.57
Rot. Bonds4

About 1-morpholin-3-yl-3-pyridin-4-ylpropan-2-one

1-morpholin-3-yl-3-pyridin-4-ylpropan-2-one (PubChem CID 116595856) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-morpholin-3-yl-3-pyridin-4-ylpropan-2-one.

Molecular Properties

Compound Name1-morpholin-3-yl-3-pyridin-4-ylpropan-2-one
PubChem CID116595856
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-morpholin-3-yl-3-pyridin-4-ylpropan-2-one
SMILESO=C(Cc1ccncc1)CC1COCCN1
InChIInChI=1S/C12H16N2O2/c15-12(7-10-1-3-13-4-2-10)8-11-9-16-6-5-14-11/h1-4,11,14H,5-9H2
InChIKeyXJKMXINNCDFNSC-UHFFFAOYSA-N
XLogP0.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-morpholin-3-yl-3-pyridin-2-ylpropan-2-one
CID 116595828
3-(2-pyridin-4-ylethyl)morpholine
CID 82281556
1-(1-methylimidazol-2-yl)-3-morpholin-3-ylpropan-2-one
CID 116595774
1-(2,5-difluorophenyl)-3-morpholin-3-ylpropan-2-one
CID 116595683
1-(oxan-4-yl)-3-pyridin-4-ylpropan-2-one
CID 62622675
N-methyl-2-[(3S)-morpholin-3-yl]-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 129381345
2-morpholin-3-yl-1-pyridin-3-ylethanone
CID 115777328
1-(4-methyl-1,3-thiazol-2-yl)-3-morpholin-3-ylpropan-2-one
CID 116595810
N-[(4-methyl-3-pyridinyl)methyl]-2-morpholin-3-ylacetamide
CID 114956082
2-morpholin-3-yl-1-phenylethanone
CID 14753828
2-[(3R)-morpholin-3-yl]-1-phenylethanone
CID 95396636
2-[(3S)-morpholin-3-yl]acetamide
CID 96824646

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-3-yl-3-pyridin-4-ylpropan-2-one?
The IUPAC name of 1-morpholin-3-yl-3-pyridin-4-ylpropan-2-one (CID 116595856) is 1-morpholin-3-yl-3-pyridin-4-ylpropan-2-one.
What is the SMILES notation for 1-morpholin-3-yl-3-pyridin-4-ylpropan-2-one?
The canonical SMILES for 1-morpholin-3-yl-3-pyridin-4-ylpropan-2-one is O=C(Cc1ccncc1)CC1COCCN1.
What is the InChIKey of 1-morpholin-3-yl-3-pyridin-4-ylpropan-2-one?
The InChIKey is XJKMXINNCDFNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-12(7-10-1-3-13-4-2-10)8-11-9-16-6-5-14-11/h1-4,11,14H,5-9H2.
What are the key properties of 1-morpholin-3-yl-3-pyridin-4-ylpropan-2-one?
1-morpholin-3-yl-3-pyridin-4-ylpropan-2-one has a molecular weight of 220.27 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-3-yl-3-pyridin-4-ylpropan-2-one is sourced from PubChem (CID 116595856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).