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

C14H24N2O3 — CID 115874722

IUPAC1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]azepan-2-one
SMILESCC1(O)CCCN(C(=O)CN2CCCCCC2=O)C1
InChIInChI=1S/C14H24N2O3/c1-14(19)7-5-9-16(11-14)13(18)10-15-8-4-2-3-6-12(15)17/h19H,2-11H2,1H3
InChIKeyBLXCLQCEAZJVBK-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.76
Rot. Bonds2

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

1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]azepan-2-one (PubChem CID 115874722) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]azepan-2-one.

Molecular Properties

Compound Name1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]azepan-2-one
PubChem CID115874722
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]azepan-2-one
SMILESCC1(O)CCCN(C(=O)CN2CCCCCC2=O)C1
InChIInChI=1S/C14H24N2O3/c1-14(19)7-5-9-16(11-14)13(18)10-15-8-4-2-3-6-12(15)17/h19H,2-11H2,1H3
InChIKeyBLXCLQCEAZJVBK-UHFFFAOYSA-N
XLogP0.76
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]azepan-2-one?
The IUPAC name of 1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]azepan-2-one (CID 115874722) is 1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]azepan-2-one.
What is the SMILES notation for 1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]azepan-2-one?
The canonical SMILES for 1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]azepan-2-one is CC1(O)CCCN(C(=O)CN2CCCCCC2=O)C1.
What is the InChIKey of 1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]azepan-2-one?
The InChIKey is BLXCLQCEAZJVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-14(19)7-5-9-16(11-14)13(18)10-15-8-4-2-3-6-12(15)17/h19H,2-11H2,1H3.
What are the key properties of 1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]azepan-2-one?
1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]azepan-2-one has a molecular weight of 268.36 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]azepan-2-one is sourced from PubChem (CID 115874722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).