3-methylpiperidin-2-one;5-methylpiperidin-2-one

C12H22N2O2 — CID 157332595

IUPAC3-methylpiperidin-2-one;5-methylpiperidin-2-one
SMILESCC1CCC(=O)NC1.CC1CCCNC1=O
InChIInChI=1S/2C6H11NO/c1-5-2-3-6(8)7-4-5;1-5-3-2-4-7-6(5)8/h2*5H,2-4H2,1H3,(H,7,8)
InChIKeyBFLRUCOHMYJUGN-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.07
Rot. Bonds

About 3-methylpiperidin-2-one;5-methylpiperidin-2-one

3-methylpiperidin-2-one;5-methylpiperidin-2-one (PubChem CID 157332595) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-methylpiperidin-2-one;5-methylpiperidin-2-one.

Molecular Properties

Compound Name3-methylpiperidin-2-one;5-methylpiperidin-2-one
PubChem CID157332595
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-methylpiperidin-2-one;5-methylpiperidin-2-one
SMILESCC1CCC(=O)NC1.CC1CCCNC1=O
InChIInChI=1S/2C6H11NO/c1-5-2-3-6(8)7-4-5;1-5-3-2-4-7-6(5)8/h2*5H,2-4H2,1H3,(H,7,8)
InChIKeyBFLRUCOHMYJUGN-UHFFFAOYSA-N
XLogP1.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylpiperidin-2-one;5-methylpiperidin-2-one?
The IUPAC name of 3-methylpiperidin-2-one;5-methylpiperidin-2-one (CID 157332595) is 3-methylpiperidin-2-one;5-methylpiperidin-2-one.
What is the SMILES notation for 3-methylpiperidin-2-one;5-methylpiperidin-2-one?
The canonical SMILES for 3-methylpiperidin-2-one;5-methylpiperidin-2-one is CC1CCC(=O)NC1.CC1CCCNC1=O.
What is the InChIKey of 3-methylpiperidin-2-one;5-methylpiperidin-2-one?
The InChIKey is BFLRUCOHMYJUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H11NO/c1-5-2-3-6(8)7-4-5;1-5-3-2-4-7-6(5)8/h2*5H,2-4H2,1H3,(H,7,8).
What are the key properties of 3-methylpiperidin-2-one;5-methylpiperidin-2-one?
3-methylpiperidin-2-one;5-methylpiperidin-2-one has a molecular weight of 226.32 g/mol, XLogP of 1.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpiperidin-2-one;5-methylpiperidin-2-one is sourced from PubChem (CID 157332595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).