3,3-dimethyl-1-piperidin-4-ylazetidin-2-one

C10H18N2O — CID 139026299

IUPAC3,3-dimethyl-1-piperidin-4-ylazetidin-2-one
SMILESCC1(C)CN(C2CCNCC2)C1=O
InChIInChI=1S/C10H18N2O/c1-10(2)7-12(9(10)13)8-3-5-11-6-4-8/h8,11H,3-7H2,1-2H3
InChIKeyBXVVEIVGSSLELX-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.61
Rot. Bonds1

About 3,3-dimethyl-1-piperidin-4-ylazetidin-2-one

3,3-dimethyl-1-piperidin-4-ylazetidin-2-one (PubChem CID 139026299) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3,3-dimethyl-1-piperidin-4-ylazetidin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-piperidin-4-ylazetidin-2-one
PubChem CID139026299
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3,3-dimethyl-1-piperidin-4-ylazetidin-2-one
SMILESCC1(C)CN(C2CCNCC2)C1=O
InChIInChI=1S/C10H18N2O/c1-10(2)7-12(9(10)13)8-3-5-11-6-4-8/h8,11H,3-7H2,1-2H3
InChIKeyBXVVEIVGSSLELX-UHFFFAOYSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-piperidin-4-ylazetidin-2-one?
The IUPAC name of 3,3-dimethyl-1-piperidin-4-ylazetidin-2-one (CID 139026299) is 3,3-dimethyl-1-piperidin-4-ylazetidin-2-one.
What is the SMILES notation for 3,3-dimethyl-1-piperidin-4-ylazetidin-2-one?
The canonical SMILES for 3,3-dimethyl-1-piperidin-4-ylazetidin-2-one is CC1(C)CN(C2CCNCC2)C1=O.
What is the InChIKey of 3,3-dimethyl-1-piperidin-4-ylazetidin-2-one?
The InChIKey is BXVVEIVGSSLELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-10(2)7-12(9(10)13)8-3-5-11-6-4-8/h8,11H,3-7H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-piperidin-4-ylazetidin-2-one?
3,3-dimethyl-1-piperidin-4-ylazetidin-2-one has a molecular weight of 182.27 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-piperidin-4-ylazetidin-2-one is sourced from PubChem (CID 139026299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).