2-methoxy-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone

C14H26N2O3 — CID 90616344

IUPAC2-methoxy-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(N2CCC(OC)CC2)CC1
InChIInChI=1S/C14H26N2O3/c1-18-11-14(17)16-7-3-12(4-8-16)15-9-5-13(19-2)6-10-15/h12-13H,3-11H2,1-2H3
InChIKeyWMHKNYQATUENQV-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.73
Rot. Bonds4

About 2-methoxy-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone

2-methoxy-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone (PubChem CID 90616344) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-methoxy-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone
PubChem CID90616344
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-methoxy-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(N2CCC(OC)CC2)CC1
InChIInChI=1S/C14H26N2O3/c1-18-11-14(17)16-7-3-12(4-8-16)15-9-5-13(19-2)6-10-15/h12-13H,3-11H2,1-2H3
InChIKeyWMHKNYQATUENQV-UHFFFAOYSA-N
XLogP0.73
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 90616528
1-(4-methoxypiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112604331
2-methoxy-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone
CID 58139999
2-(2-chlorophenyl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90616293
1-[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]propan-1-one
CID 169229049
3-(2-bromophenyl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90616380
3-chloro-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 43373029
(4-methoxypiperidin-1-yl)-[1-(4-methylcyclohexyl)piperidin-4-yl]methanone
CID 171833705
2-methoxy-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone
CID 145013525
2-methoxy-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 95562754
(4-butylcyclohexyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616537
2-methoxy-1-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 95562753

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone (CID 90616344) is 2-methoxy-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone is COCC(=O)N1CCC(N2CCC(OC)CC2)CC1.
What is the InChIKey of 2-methoxy-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone?
The InChIKey is WMHKNYQATUENQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-18-11-14(17)16-7-3-12(4-8-16)15-9-5-13(19-2)6-10-15/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-methoxy-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone?
2-methoxy-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone has a molecular weight of 270.37 g/mol, XLogP of 0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 90616344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).