1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]azepan-2-one

C15H26N2O2 — CID 42910134

IUPAC1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]azepan-2-one
SMILESCC1CC(C)CN(C(=O)CN2CCCCCC2=O)C1
InChIInChI=1S/C15H26N2O2/c1-12-8-13(2)10-17(9-12)15(19)11-16-7-5-3-4-6-14(16)18/h12-13H,3-11H2,1-2H3
InChIKeyWIZDOTGSRBSOHK-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.89
Rot. Bonds2

About 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]azepan-2-one

1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]azepan-2-one (PubChem CID 42910134) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]azepan-2-one.

Molecular Properties

Compound Name1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]azepan-2-one
PubChem CID42910134
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]azepan-2-one
SMILESCC1CC(C)CN(C(=O)CN2CCCCCC2=O)C1
InChIInChI=1S/C15H26N2O2/c1-12-8-13(2)10-17(9-12)15(19)11-16-7-5-3-4-6-14(16)18/h12-13H,3-11H2,1-2H3
InChIKeyWIZDOTGSRBSOHK-UHFFFAOYSA-N
XLogP1.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]azepan-2-one?
The IUPAC name of 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]azepan-2-one (CID 42910134) is 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]azepan-2-one.
What is the SMILES notation for 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]azepan-2-one?
The canonical SMILES for 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]azepan-2-one is CC1CC(C)CN(C(=O)CN2CCCCCC2=O)C1.
What is the InChIKey of 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]azepan-2-one?
The InChIKey is WIZDOTGSRBSOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-12-8-13(2)10-17(9-12)15(19)11-16-7-5-3-4-6-14(16)18/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]azepan-2-one?
1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]azepan-2-one has a molecular weight of 266.38 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]azepan-2-one is sourced from PubChem (CID 42910134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).