1-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]propan-1-one

C12H22N2O2 — CID 169229049

IUPAC1-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC(N2CCC(OC)CC2)C1
InChIInChI=1S/C12H22N2O2/c1-3-12(15)14-8-10(9-14)13-6-4-11(16-2)5-7-13/h10-11H,3-9H2,1-2H3
InChIKeyNRKHIVDFQQQVGW-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.72
Rot. Bonds3

About 1-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]propan-1-one

1-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]propan-1-one (PubChem CID 169229049) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]propan-1-one
PubChem CID169229049
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC(N2CCC(OC)CC2)C1
InChIInChI=1S/C12H22N2O2/c1-3-12(15)14-8-10(9-14)13-6-4-11(16-2)5-7-13/h10-11H,3-9H2,1-2H3
InChIKeyNRKHIVDFQQQVGW-UHFFFAOYSA-N
XLogP0.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90616344
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]propan-1-one
CID 80553918
[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]-naphthalen-1-ylmethanone
CID 122243216
(4-butylcyclohexyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616537
1-(4-ethoxypiperidin-1-yl)propan-1-one
CID 53016317
1-(4-methoxypiperidin-1-yl)pentan-1-one
CID 110725259
1-(4-cyclohexylpiperazin-1-yl)propan-1-one
CID 113073042
(4-methoxypiperidin-1-yl)-[1-(4-methylcyclohexyl)piperidin-4-yl]methanone
CID 171833705
(1-propanoylpyrrolidin-3-yl) methanesulfonate
CID 123443494
1-(3-triethylsilyloxypyrrolidin-1-yl)propan-1-one
CID 11482299
3-chloro-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 43373029
2-chloro-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564435

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]propan-1-one (CID 169229049) is 1-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]propan-1-one is CCC(=O)N1CC(N2CCC(OC)CC2)C1.
What is the InChIKey of 1-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]propan-1-one?
The InChIKey is NRKHIVDFQQQVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-12(15)14-8-10(9-14)13-6-4-11(16-2)5-7-13/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]propan-1-one?
1-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]propan-1-one has a molecular weight of 226.32 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]propan-1-one is sourced from PubChem (CID 169229049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).