1-(3-methoxy-3-methylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one

C15H28N2O2 — CID 107392526

IUPAC1-(3-methoxy-3-methylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one
SMILESCOC1(C)CCCN(C(=O)CCC2CCNCC2)C1
InChIInChI=1S/C15H28N2O2/c1-15(19-2)8-3-11-17(12-15)14(18)5-4-13-6-9-16-10-7-13/h13,16H,3-12H2,1-2H3
InChIKeyRJLQBCWWBMCZBT-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds4

About 1-(3-methoxy-3-methylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one

1-(3-methoxy-3-methylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one (PubChem CID 107392526) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-methoxy-3-methylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one
PubChem CID107392526
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-(3-methoxy-3-methylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one
SMILESCOC1(C)CCCN(C(=O)CCC2CCNCC2)C1
InChIInChI=1S/C15H28N2O2/c1-15(19-2)8-3-11-17(12-15)14(18)5-4-13-6-9-16-10-7-13/h13,16H,3-12H2,1-2H3
InChIKeyRJLQBCWWBMCZBT-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-aminocyclohexyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-1-one
CID 107395786
1-(3-methoxy-3-methylpiperidin-1-yl)-2-pyrrolidin-3-ylethanone
CID 107392439
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 103356003
5-chloro-1-(3-methoxy-3-methylpiperidin-1-yl)pentan-1-one
CID 107390996
4-amino-1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-one
CID 107392361
2-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107395939
5-bromo-1-(3-methoxy-3-methylpiperidin-1-yl)pentan-1-one
CID 107910812
3-piperidin-4-yl-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
CID 62212540
methyl 1-(3-piperidin-4-ylpropanoyl)piperidine-4-carboxylate
CID 62212418
3-cyclopentyl-1-(2,8-diazaspiro[5.5]undecan-2-yl)propan-1-one
CID 102849644
azetidin-3-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392334
1-[3-(hydroxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 62212438

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one?
The IUPAC name of 1-(3-methoxy-3-methylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one (CID 107392526) is 1-(3-methoxy-3-methylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one.
What is the SMILES notation for 1-(3-methoxy-3-methylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one?
The canonical SMILES for 1-(3-methoxy-3-methylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one is COC1(C)CCCN(C(=O)CCC2CCNCC2)C1.
What is the InChIKey of 1-(3-methoxy-3-methylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one?
The InChIKey is RJLQBCWWBMCZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(19-2)8-3-11-17(12-15)14(18)5-4-13-6-9-16-10-7-13/h13,16H,3-12H2,1-2H3.
What are the key properties of 1-(3-methoxy-3-methylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one?
1-(3-methoxy-3-methylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one is sourced from PubChem (CID 107392526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).