3-methoxy-1-piperidin-1-ylpropan-1-one

C9H17NO2 — CID 15751929

IUPAC3-methoxy-1-piperidin-1-ylpropan-1-one
SMILESCOCCC(=O)N1CCCCC1
InChIInChI=1S/C9H17NO2/c1-12-8-5-9(11)10-6-3-2-4-7-10/h2-8H2,1H3
InChIKeyCJLLUXGLPVVKMT-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.04
Rot. Bonds3

About 3-methoxy-1-piperidin-1-ylpropan-1-one

3-methoxy-1-piperidin-1-ylpropan-1-one (PubChem CID 15751929) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-methoxy-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-methoxy-1-piperidin-1-ylpropan-1-one
PubChem CID15751929
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-methoxy-1-piperidin-1-ylpropan-1-one
SMILESCOCCC(=O)N1CCCCC1
InChIInChI=1S/C9H17NO2/c1-12-8-5-9(11)10-6-3-2-4-7-10/h2-8H2,1H3
InChIKeyCJLLUXGLPVVKMT-UHFFFAOYSA-N
XLogP1.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(2-methoxyethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 86931018
3-methylperoxy-1-pyrrolidin-1-ylpropan-1-one
CID 88902990
1-(azepan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 60716245
1-(azocan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 103601645
3-ethoxy-1-piperidin-1-ylpropan-1-one
CID 63184381
3-methoxy-1-[4-(2,2,2-trifluoroacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 108543720
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
1-(azepan-1-yl)-3-hydroxypropan-1-one
CID 82111325
[3-(azocan-1-yl)-3-oxopropyl] carbamate
CID 69258184
1-[4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 108569704
2-methoxyethyl-(2-oxo-2-piperidin-1-ylethyl)azanium
CID 7437207
N-(3-methoxypropyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113137802

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-methoxy-1-piperidin-1-ylpropan-1-one (CID 15751929) is 3-methoxy-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-methoxy-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-methoxy-1-piperidin-1-ylpropan-1-one is COCCC(=O)N1CCCCC1.
What is the InChIKey of 3-methoxy-1-piperidin-1-ylpropan-1-one?
The InChIKey is CJLLUXGLPVVKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-12-8-5-9(11)10-6-3-2-4-7-10/h2-8H2,1H3.
What are the key properties of 3-methoxy-1-piperidin-1-ylpropan-1-one?
3-methoxy-1-piperidin-1-ylpropan-1-one has a molecular weight of 171.24 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 15751929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).