1-methoxy-3-(3-propoxypiperidin-1-yl)propan-2-one

C12H23NO3 — CID 107507196

IUPAC1-methoxy-3-(3-propoxypiperidin-1-yl)propan-2-one
SMILESCCCOC1CCCN(CC(=O)COC)C1
InChIInChI=1S/C12H23NO3/c1-3-7-16-12-5-4-6-13(9-12)8-11(14)10-15-2/h12H,3-10H2,1-2H3
InChIKeyCMRLRNIPBXYKIR-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.09
Rot. Bonds7

About 1-methoxy-3-(3-propoxypiperidin-1-yl)propan-2-one

1-methoxy-3-(3-propoxypiperidin-1-yl)propan-2-one (PubChem CID 107507196) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-methoxy-3-(3-propoxypiperidin-1-yl)propan-2-one.

Molecular Properties

Compound Name1-methoxy-3-(3-propoxypiperidin-1-yl)propan-2-one
PubChem CID107507196
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name1-methoxy-3-(3-propoxypiperidin-1-yl)propan-2-one
SMILESCCCOC1CCCN(CC(=O)COC)C1
InChIInChI=1S/C12H23NO3/c1-3-7-16-12-5-4-6-13(9-12)8-11(14)10-15-2/h12H,3-10H2,1-2H3
InChIKeyCMRLRNIPBXYKIR-UHFFFAOYSA-N
XLogP1.09
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethoxypiperidin-1-yl)-3-methoxypropan-2-one
CID 107507197
1-(3-ethoxypiperidin-1-yl)butan-2-one
CID 62040575
N-(2-hydroxyethyl)-2-(3-propoxypiperidin-1-yl)acetamide
CID 54990386
N-(2-cyanoethyl)-N-methyl-2-(3-propoxypiperidin-1-yl)acetamide
CID 54985060
N-ethyl-2-[(3-propoxypiperidin-1-yl)methyl]prop-2-en-1-amine
CID 103069920
1-(azocan-1-yl)-3-methoxypropan-2-one
CID 107507090
1-(5-bromothiophen-2-yl)-2-(3-propoxypiperidin-1-yl)ethanone
CID 54990380
methyl 2-(ethylamino)-4-(3-propoxypiperidin-1-yl)butanoate
CID 63054326
2-methyl-1-(3-propoxypiperidin-1-yl)butan-2-ol
CID 114495488
1-[(3-propoxypiperidin-1-yl)methyl]cyclopentan-1-ol
CID 65213272
4-methyl-2-[(3-propoxypiperidin-1-yl)methyl]cyclohexan-1-ol
CID 55094581
1-[3-(dimethylamino)pyrrolidin-1-yl]-3-methoxypropan-2-one
CID 107507402

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(3-propoxypiperidin-1-yl)propan-2-one?
The IUPAC name of 1-methoxy-3-(3-propoxypiperidin-1-yl)propan-2-one (CID 107507196) is 1-methoxy-3-(3-propoxypiperidin-1-yl)propan-2-one.
What is the SMILES notation for 1-methoxy-3-(3-propoxypiperidin-1-yl)propan-2-one?
The canonical SMILES for 1-methoxy-3-(3-propoxypiperidin-1-yl)propan-2-one is CCCOC1CCCN(CC(=O)COC)C1.
What is the InChIKey of 1-methoxy-3-(3-propoxypiperidin-1-yl)propan-2-one?
The InChIKey is CMRLRNIPBXYKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-7-16-12-5-4-6-13(9-12)8-11(14)10-15-2/h12H,3-10H2,1-2H3.
What are the key properties of 1-methoxy-3-(3-propoxypiperidin-1-yl)propan-2-one?
1-methoxy-3-(3-propoxypiperidin-1-yl)propan-2-one has a molecular weight of 229.32 g/mol, XLogP of 1.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(3-propoxypiperidin-1-yl)propan-2-one is sourced from PubChem (CID 107507196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).