1-[3-(oxan-4-ylmethyl)morpholin-4-yl]-3-pyridin-2-ylpropan-1-one

C18H26N2O3 — CID 136567968

IUPAC1-[3-(oxan-4-ylmethyl)morpholin-4-yl]-3-pyridin-2-ylpropan-1-one
SMILESO=C(CCc1ccccn1)N1CCOCC1CC1CCOCC1
InChIInChI=1S/C18H26N2O3/c21-18(5-4-16-3-1-2-8-19-16)20-9-12-23-14-17(20)13-15-6-10-22-11-7-15/h1-3,8,15,17H,4-7,9-14H2
InChIKeyVBLSXNLOHYYVHU-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.06
Rot. Bonds5

About 1-[3-(oxan-4-ylmethyl)morpholin-4-yl]-3-pyridin-2-ylpropan-1-one

1-[3-(oxan-4-ylmethyl)morpholin-4-yl]-3-pyridin-2-ylpropan-1-one (PubChem CID 136567968) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[3-(oxan-4-ylmethyl)morpholin-4-yl]-3-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(oxan-4-ylmethyl)morpholin-4-yl]-3-pyridin-2-ylpropan-1-one
PubChem CID136567968
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-[3-(oxan-4-ylmethyl)morpholin-4-yl]-3-pyridin-2-ylpropan-1-one
SMILESO=C(CCc1ccccn1)N1CCOCC1CC1CCOCC1
InChIInChI=1S/C18H26N2O3/c21-18(5-4-16-3-1-2-8-19-16)20-9-12-23-14-17(20)13-15-6-10-22-11-7-15/h1-3,8,15,17H,4-7,9-14H2
InChIKeyVBLSXNLOHYYVHU-UHFFFAOYSA-N
XLogP2.06
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(aminomethyl)morpholin-4-yl]-4-pyridin-2-ylbutan-1-one
CID 115270907
1-[4-[3-(oxan-4-ylmethyl)morpholin-4-yl]-4-oxobutyl]pyridin-2-one
CID 136567969
1-[3-(methoxymethyl)morpholin-4-yl]-2-pyridin-2-ylethanone
CID 112537732
1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 81479420
1-[2-(hydroxymethyl)azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 116636366
1-[(3S)-3-(oxan-4-ylmethyl)morpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 164634429
3-phenyl-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
CID 124940868
(2S)-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 81453761
2-[4-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]morpholin-3-yl]acetic acid
CID 118796116
1-[(4aS,8aS)-4a-(3,6-dihydro-2H-pyran-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[4,3-b]pyridin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 135115995
N-[(2-methoxy-4-pyridinyl)methyl]-3-(oxan-4-ylmethyl)morpholine-4-carboxamide
CID 136568232
1-[(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 133139254

Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxan-4-ylmethyl)morpholin-4-yl]-3-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-[3-(oxan-4-ylmethyl)morpholin-4-yl]-3-pyridin-2-ylpropan-1-one (CID 136567968) is 1-[3-(oxan-4-ylmethyl)morpholin-4-yl]-3-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-[3-(oxan-4-ylmethyl)morpholin-4-yl]-3-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-[3-(oxan-4-ylmethyl)morpholin-4-yl]-3-pyridin-2-ylpropan-1-one is O=C(CCc1ccccn1)N1CCOCC1CC1CCOCC1.
What is the InChIKey of 1-[3-(oxan-4-ylmethyl)morpholin-4-yl]-3-pyridin-2-ylpropan-1-one?
The InChIKey is VBLSXNLOHYYVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c21-18(5-4-16-3-1-2-8-19-16)20-9-12-23-14-17(20)13-15-6-10-22-11-7-15/h1-3,8,15,17H,4-7,9-14H2.
What are the key properties of 1-[3-(oxan-4-ylmethyl)morpholin-4-yl]-3-pyridin-2-ylpropan-1-one?
1-[3-(oxan-4-ylmethyl)morpholin-4-yl]-3-pyridin-2-ylpropan-1-one has a molecular weight of 318.42 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxan-4-ylmethyl)morpholin-4-yl]-3-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 136567968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).