1-[3-(methylaminomethyl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one

C14H21N3O2 — CID 115270965

IUPAC1-[3-(methylaminomethyl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
SMILESCNCC1COCCN1C(=O)CCc1cccnc1
InChIInChI=1S/C14H21N3O2/c1-15-10-13-11-19-8-7-17(13)14(18)5-4-12-3-2-6-16-9-12/h2-3,6,9,13,15H,4-5,7-8,10-11H2,1H3
InChIKeyZZEOQKXIYQGDCC-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.46
Rot. Bonds5

About 1-[3-(methylaminomethyl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one

1-[3-(methylaminomethyl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one (PubChem CID 115270965) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[3-(methylaminomethyl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(methylaminomethyl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
PubChem CID115270965
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-[3-(methylaminomethyl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
SMILESCNCC1COCCN1C(=O)CCc1cccnc1
InChIInChI=1S/C14H21N3O2/c1-15-10-13-11-19-8-7-17(13)14(18)5-4-12-3-2-6-16-9-12/h2-3,6,9,13,15H,4-5,7-8,10-11H2,1H3
InChIKeyZZEOQKXIYQGDCC-UHFFFAOYSA-N
XLogP0.46
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-4-(3-pyridin-3-ylpropanoyl)morpholin-3-yl]acetic acid
CID 99625562
2-[(3R)-4-(2-pyridin-3-ylacetyl)morpholin-3-yl]acetic acid
CID 99622343
[3-(methylaminomethyl)morpholin-4-yl]-pyridin-4-ylmethanone
CID 115270933
3-phenyl-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
CID 124940868
1-[3-(methylaminomethyl)morpholin-4-yl]-4-(1H-pyrrol-2-yl)butan-1-one
CID 115270975
1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 75473692
1-[3-(methylaminomethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 78981202
1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 175657779
2-[1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]acetic acid
CID 61009259
1-(oxolan-3-yl)-3-pyridin-3-ylpropan-1-one
CID 105099703
1-(2-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 81478715
3-(4-chlorophenyl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
CID 124944351

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylaminomethyl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-[3-(methylaminomethyl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one (CID 115270965) is 1-[3-(methylaminomethyl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-[3-(methylaminomethyl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-[3-(methylaminomethyl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one is CNCC1COCCN1C(=O)CCc1cccnc1.
What is the InChIKey of 1-[3-(methylaminomethyl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one?
The InChIKey is ZZEOQKXIYQGDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-15-10-13-11-19-8-7-17(13)14(18)5-4-12-3-2-6-16-9-12/h2-3,6,9,13,15H,4-5,7-8,10-11H2,1H3.
What are the key properties of 1-[3-(methylaminomethyl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one?
1-[3-(methylaminomethyl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one has a molecular weight of 263.34 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylaminomethyl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 115270965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).