1-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-one

C13H18N2O2 — CID 102544846

IUPAC1-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-one
SMILESCCC(=O)c1cnc(N2CCOCC2)c(C)c1
InChIInChI=1S/C13H18N2O2/c1-3-12(16)11-8-10(2)13(14-9-11)15-4-6-17-7-5-15/h8-9H,3-7H2,1-2H3
InChIKeyIRLITTFKVHHCGQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.82
Rot. Bonds3

About 1-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-one

1-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-one (PubChem CID 102544846) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name1-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-one
PubChem CID102544846
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-one
SMILESCCC(=O)c1cnc(N2CCOCC2)c(C)c1
InChIInChI=1S/C13H18N2O2/c1-3-12(16)11-8-10(2)13(14-9-11)15-4-6-17-7-5-15/h8-9H,3-7H2,1-2H3
InChIKeyIRLITTFKVHHCGQ-UHFFFAOYSA-N
XLogP1.82
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-6-morpholin-4-yl-3-pyridinyl)-phenylmethanone
CID 102544847
2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)ethanol
CID 102544856
5-methyl-6-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 66935695
[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 133373263
4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-1,4-oxazepane
CID 107082975
4-(5-tert-butylsulfanyl-3-methyl-2-pyridinyl)morpholine
CID 102544855
5-chloro-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 19869906
1-[4-[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]piperazin-1-yl]propan-1-one
CID 133285323
methyl 6-(4-formylpiperazin-1-yl)-5-methylpyridine-3-carboxylate
CID 102544920
4-(5-methyl-6-morpholin-4-yl-3-pyridinyl)aniline
CID 110282201
4-fluoro-2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)phenol
CID 110282197
6-(4-ethyl-3-methylpiperazin-1-yl)-5-methylpyridine-3-carboxylic acid
CID 80632175

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-one?
The IUPAC name of 1-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-one (CID 102544846) is 1-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-one.
What is the SMILES notation for 1-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-one?
The canonical SMILES for 1-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-one is CCC(=O)c1cnc(N2CCOCC2)c(C)c1.
What is the InChIKey of 1-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-one?
The InChIKey is IRLITTFKVHHCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-12(16)11-8-10(2)13(14-9-11)15-4-6-17-7-5-15/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-one?
1-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-one has a molecular weight of 234.30 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-one is sourced from PubChem (CID 102544846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).