1-[2-(4-methoxy-2-methylpiperidin-1-yl)acetyl]piperidin-4-one

C14H24N2O3 — CID 114221342

IUPAC1-[2-(4-methoxy-2-methylpiperidin-1-yl)acetyl]piperidin-4-one
SMILESCOC1CCN(CC(=O)N2CCC(=O)CC2)C(C)C1
InChIInChI=1S/C14H24N2O3/c1-11-9-13(19-2)5-8-16(11)10-14(18)15-6-3-12(17)4-7-15/h11,13H,3-10H2,1-2H3
InChIKeyXUEGYBIUEVPOCQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.68
Rot. Bonds3

About 1-[2-(4-methoxy-2-methylpiperidin-1-yl)acetyl]piperidin-4-one

1-[2-(4-methoxy-2-methylpiperidin-1-yl)acetyl]piperidin-4-one (PubChem CID 114221342) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[2-(4-methoxy-2-methylpiperidin-1-yl)acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(4-methoxy-2-methylpiperidin-1-yl)acetyl]piperidin-4-one
PubChem CID114221342
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[2-(4-methoxy-2-methylpiperidin-1-yl)acetyl]piperidin-4-one
SMILESCOC1CCN(CC(=O)N2CCC(=O)CC2)C(C)C1
InChIInChI=1S/C14H24N2O3/c1-11-9-13(19-2)5-8-16(11)10-14(18)15-6-3-12(17)4-7-15/h11,13H,3-10H2,1-2H3
InChIKeyXUEGYBIUEVPOCQ-UHFFFAOYSA-N
XLogP0.68
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 112622666
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-piperidin-1-ylethanone
CID 112622497
3,4-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 79181005
1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]piperidin-4-one
CID 55209746
2-acetamido-3-(4-methoxy-2-methylpiperidin-1-yl)propanoic acid
CID 114221286
4-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)-4-methylpentan-3-one
CID 114229025
1-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]piperidin-4-one
CID 62024607
1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-one
CID 43229392
1-[2-(4-ethylpiperidin-1-yl)acetyl]piperidin-4-one
CID 61421544
3-chloro-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 43373029
(2R)-1-(2,2-difluoroethyl)-4-(3-methoxycyclobutyl)oxy-2-methylpiperidine
CID 175636416
1-(azetidin-3-ylmethyl)-4-methoxy-2-methylpiperidine
CID 130485895

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxy-2-methylpiperidin-1-yl)acetyl]piperidin-4-one?
The IUPAC name of 1-[2-(4-methoxy-2-methylpiperidin-1-yl)acetyl]piperidin-4-one (CID 114221342) is 1-[2-(4-methoxy-2-methylpiperidin-1-yl)acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(4-methoxy-2-methylpiperidin-1-yl)acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-(4-methoxy-2-methylpiperidin-1-yl)acetyl]piperidin-4-one is COC1CCN(CC(=O)N2CCC(=O)CC2)C(C)C1.
What is the InChIKey of 1-[2-(4-methoxy-2-methylpiperidin-1-yl)acetyl]piperidin-4-one?
The InChIKey is XUEGYBIUEVPOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-11-9-13(19-2)5-8-16(11)10-14(18)15-6-3-12(17)4-7-15/h11,13H,3-10H2,1-2H3.
What are the key properties of 1-[2-(4-methoxy-2-methylpiperidin-1-yl)acetyl]piperidin-4-one?
1-[2-(4-methoxy-2-methylpiperidin-1-yl)acetyl]piperidin-4-one has a molecular weight of 268.36 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxy-2-methylpiperidin-1-yl)acetyl]piperidin-4-one is sourced from PubChem (CID 114221342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).