3,3-dimethyl-5-piperidin-3-ylpiperazin-2-one

C11H21N3O — CID 82394527

IUPAC3,3-dimethyl-5-piperidin-3-ylpiperazin-2-one
SMILESCC1(C)NC(C2CCCNC2)CNC1=O
InChIInChI=1S/C11H21N3O/c1-11(2)10(15)13-7-9(14-11)8-4-3-5-12-6-8/h8-9,12,14H,3-7H2,1-2H3,(H,13,15)
InChIKeyHOBQRIRMCUBEEE-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.15
Rot. Bonds1

About 3,3-dimethyl-5-piperidin-3-ylpiperazin-2-one

3,3-dimethyl-5-piperidin-3-ylpiperazin-2-one (PubChem CID 82394527) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3,3-dimethyl-5-piperidin-3-ylpiperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-5-piperidin-3-ylpiperazin-2-one
PubChem CID82394527
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3,3-dimethyl-5-piperidin-3-ylpiperazin-2-one
SMILESCC1(C)NC(C2CCCNC2)CNC1=O
InChIInChI=1S/C11H21N3O/c1-11(2)10(15)13-7-9(14-11)8-4-3-5-12-6-8/h8-9,12,14H,3-7H2,1-2H3,(H,13,15)
InChIKeyHOBQRIRMCUBEEE-UHFFFAOYSA-N
XLogP-0.15
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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(3S)-3-cyclohexylpiperidine
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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-piperidin-3-ylpiperazin-2-one?
The IUPAC name of 3,3-dimethyl-5-piperidin-3-ylpiperazin-2-one (CID 82394527) is 3,3-dimethyl-5-piperidin-3-ylpiperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-5-piperidin-3-ylpiperazin-2-one?
The canonical SMILES for 3,3-dimethyl-5-piperidin-3-ylpiperazin-2-one is CC1(C)NC(C2CCCNC2)CNC1=O.
What is the InChIKey of 3,3-dimethyl-5-piperidin-3-ylpiperazin-2-one?
The InChIKey is HOBQRIRMCUBEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-11(2)10(15)13-7-9(14-11)8-4-3-5-12-6-8/h8-9,12,14H,3-7H2,1-2H3,(H,13,15).
What are the key properties of 3,3-dimethyl-5-piperidin-3-ylpiperazin-2-one?
3,3-dimethyl-5-piperidin-3-ylpiperazin-2-one has a molecular weight of 211.31 g/mol, XLogP of -0.15, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-piperidin-3-ylpiperazin-2-one is sourced from PubChem (CID 82394527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).