1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-2-one

C13H22N2O2 — CID 86982330

IUPAC1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-2-one
SMILESCC1CCCN(C(=O)CN2CCCCC2=O)C1
InChIInChI=1S/C13H22N2O2/c1-11-5-4-8-14(9-11)13(17)10-15-7-3-2-6-12(15)16/h11H,2-10H2,1H3
InChIKeyANCSAPXUMJWKHQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.26
Rot. Bonds2

About 1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-2-one

1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-2-one (PubChem CID 86982330) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-2-one
PubChem CID86982330
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-2-one
SMILESCC1CCCN(C(=O)CN2CCCCC2=O)C1
InChIInChI=1S/C13H22N2O2/c1-11-5-4-8-14(9-11)13(17)10-15-7-3-2-6-12(15)16/h11H,2-10H2,1H3
InChIKeyANCSAPXUMJWKHQ-UHFFFAOYSA-N
XLogP1.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-2-one?
The IUPAC name of 1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-2-one (CID 86982330) is 1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-2-one?
The canonical SMILES for 1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-2-one is CC1CCCN(C(=O)CN2CCCCC2=O)C1.
What is the InChIKey of 1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-2-one?
The InChIKey is ANCSAPXUMJWKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-11-5-4-8-14(9-11)13(17)10-15-7-3-2-6-12(15)16/h11H,2-10H2,1H3.
What are the key properties of 1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-2-one?
1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-2-one has a molecular weight of 238.33 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-2-one is sourced from PubChem (CID 86982330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).