1,3-dimethylpiperidin-4-one;1-methylpiperidin-4-one;3-methylpiperidin-4-one

C19H35N3O3 — CID 159347195

IUPAC1,3-dimethylpiperidin-4-one;1-methylpiperidin-4-one;3-methylpiperidin-4-one
SMILESCC1CN(C)CCC1=O.CC1CNCCC1=O.CN1CCC(=O)CC1
InChIInChI=1S/C7H13NO.2C6H11NO/c1-6-5-8(2)4-3-7(6)9;1-7-4-2-6(8)3-5-7;1-5-4-7-3-2-6(5)8/h6H,3-5H2,1-2H3;2-5H2,1H3;5,7H,2-4H2,1H3
InChIKeyLGWIHHFOSJOWLN-UHFFFAOYSA-N
MW353.51 g/mol
LogP0.99
Rot. Bonds

About 1,3-dimethylpiperidin-4-one;1-methylpiperidin-4-one;3-methylpiperidin-4-one

1,3-dimethylpiperidin-4-one;1-methylpiperidin-4-one;3-methylpiperidin-4-one (PubChem CID 159347195) has the molecular formula C19H35N3O3 and a molecular weight of 353.51 g/mol. Its IUPAC name is 1,3-dimethylpiperidin-4-one;1-methylpiperidin-4-one;3-methylpiperidin-4-one.

Molecular Properties

Compound Name1,3-dimethylpiperidin-4-one;1-methylpiperidin-4-one;3-methylpiperidin-4-one
PubChem CID159347195
Molecular FormulaC19H35N3O3
Molecular Weight353.51 g/mol
Exact Mass353.27
IUPAC Name1,3-dimethylpiperidin-4-one;1-methylpiperidin-4-one;3-methylpiperidin-4-one
SMILESCC1CN(C)CCC1=O.CC1CNCCC1=O.CN1CCC(=O)CC1
InChIInChI=1S/C7H13NO.2C6H11NO/c1-6-5-8(2)4-3-7(6)9;1-7-4-2-6(8)3-5-7;1-5-4-7-3-2-6(5)8/h6H,3-5H2,1-2H3;2-5H2,1H3;5,7H,2-4H2,1H3
InChIKeyLGWIHHFOSJOWLN-UHFFFAOYSA-N
XLogP0.99
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpiperidin-4-one;1-methylpiperidin-4-one;3-methylpiperidin-4-one?
The IUPAC name of 1,3-dimethylpiperidin-4-one;1-methylpiperidin-4-one;3-methylpiperidin-4-one (CID 159347195) is 1,3-dimethylpiperidin-4-one;1-methylpiperidin-4-one;3-methylpiperidin-4-one.
What is the SMILES notation for 1,3-dimethylpiperidin-4-one;1-methylpiperidin-4-one;3-methylpiperidin-4-one?
The canonical SMILES for 1,3-dimethylpiperidin-4-one;1-methylpiperidin-4-one;3-methylpiperidin-4-one is CC1CN(C)CCC1=O.CC1CNCCC1=O.CN1CCC(=O)CC1.
What is the InChIKey of 1,3-dimethylpiperidin-4-one;1-methylpiperidin-4-one;3-methylpiperidin-4-one?
The InChIKey is LGWIHHFOSJOWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.2C6H11NO/c1-6-5-8(2)4-3-7(6)9;1-7-4-2-6(8)3-5-7;1-5-4-7-3-2-6(5)8/h6H,3-5H2,1-2H3;2-5H2,1H3;5,7H,2-4H2,1H3.
What are the key properties of 1,3-dimethylpiperidin-4-one;1-methylpiperidin-4-one;3-methylpiperidin-4-one?
1,3-dimethylpiperidin-4-one;1-methylpiperidin-4-one;3-methylpiperidin-4-one has a molecular weight of 353.51 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpiperidin-4-one;1-methylpiperidin-4-one;3-methylpiperidin-4-one is sourced from PubChem (CID 159347195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).