5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidin-2-one

C13H24N2O — CID 158347597

IUPAC5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidin-2-one
SMILESCN1CCC(N2CC(C)(C)CCC2=O)CC1
InChIInChI=1S/C13H24N2O/c1-13(2)7-4-12(16)15(10-13)11-5-8-14(3)9-6-11/h11H,4-10H2,1-3H3
InChIKeyWQEQLLOJTOAVIR-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.73
Rot. Bonds1

About 5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidin-2-one

5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidin-2-one (PubChem CID 158347597) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidin-2-one.

Molecular Properties

Compound Name5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidin-2-one
PubChem CID158347597
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidin-2-one
SMILESCN1CCC(N2CC(C)(C)CCC2=O)CC1
InChIInChI=1S/C13H24N2O/c1-13(2)7-4-12(16)15(10-13)11-5-8-14(3)9-6-11/h11H,4-10H2,1-3H3
InChIKeyWQEQLLOJTOAVIR-UHFFFAOYSA-N
XLogP1.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Cambridge id 5465862
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CID 60590068
3-Methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one
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2,2-Dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 59835305
2,2-Dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one
CID 124098478
2,2-Dimethyl-1-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 132176686
2-Methyl-1-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 132176770
1-[4-(3-Methylpiperidin-1-yl)piperidin-1-yl]ethanone
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CID 131949837

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidin-2-one?
The IUPAC name of 5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidin-2-one (CID 158347597) is 5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidin-2-one.
What is the SMILES notation for 5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidin-2-one?
The canonical SMILES for 5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidin-2-one is CN1CCC(N2CC(C)(C)CCC2=O)CC1.
What is the InChIKey of 5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidin-2-one?
The InChIKey is WQEQLLOJTOAVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(2)7-4-12(16)15(10-13)11-5-8-14(3)9-6-11/h11H,4-10H2,1-3H3.
What are the key properties of 5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidin-2-one?
5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidin-2-one has a molecular weight of 224.35 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidin-2-one is sourced from PubChem (CID 158347597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).