3,3-dimethyl-1-[(3R)-piperidin-3-yl]azetidin-2-one

C10H18N2O — CID 129450905

IUPAC3,3-dimethyl-1-[(3R)-piperidin-3-yl]azetidin-2-one
SMILESCC1(C)CN([C@@H]2CCCNC2)C1=O
InChIInChI=1S/C10H18N2O/c1-10(2)7-12(9(10)13)8-4-3-5-11-6-8/h8,11H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyDJHVIFYDSPVZIE-MRVPVSSYSA-N
MW182.27 g/mol
LogP0.61
Rot. Bonds1

About 3,3-dimethyl-1-[(3R)-piperidin-3-yl]azetidin-2-one

3,3-dimethyl-1-[(3R)-piperidin-3-yl]azetidin-2-one (PubChem CID 129450905) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(3R)-piperidin-3-yl]azetidin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-[(3R)-piperidin-3-yl]azetidin-2-one
PubChem CID129450905
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3,3-dimethyl-1-[(3R)-piperidin-3-yl]azetidin-2-one
SMILESCC1(C)CN([C@@H]2CCCNC2)C1=O
InChIInChI=1S/C10H18N2O/c1-10(2)7-12(9(10)13)8-4-3-5-11-6-8/h8,11H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyDJHVIFYDSPVZIE-MRVPVSSYSA-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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Related Compounds

3,3-dimethyl-1-piperidin-4-ylazetidin-2-one
CID 139026299
1-piperidin-3-yl-1,3-diazinane-2,4-dione
CID 75607085
1-cyclopropyl-3-piperidin-3-ylimidazolidin-2-one;hydrochloride
CID 118115296
1-methyl-3-piperidin-3-ylimidazolidin-2-one;trihydrochloride
CID 175684354
1-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride
CID 162422983
4-ethyl-1-piperidin-3-ylimidazolidin-2-one
CID 116979000
5-methyl-1-[(3R)-piperidin-3-yl]piperidin-2-one
CID 166162657
1-methyl-3-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride
CID 118115291
1-[(3R)-piperidin-3-yl]-3-propan-2-yl-1,3-diazinan-2-one
CID 125041151
3-piperidin-3-yl-1,3-oxazolidin-2-one;hydrochloride
CID 167727849
4-ethyl-3-methyl-1-piperidin-3-ylimidazolidin-2-one
CID 116981743
2-piperidin-3-yloxazinan-3-one
CID 105441247

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(3R)-piperidin-3-yl]azetidin-2-one?
The IUPAC name of 3,3-dimethyl-1-[(3R)-piperidin-3-yl]azetidin-2-one (CID 129450905) is 3,3-dimethyl-1-[(3R)-piperidin-3-yl]azetidin-2-one.
What is the SMILES notation for 3,3-dimethyl-1-[(3R)-piperidin-3-yl]azetidin-2-one?
The canonical SMILES for 3,3-dimethyl-1-[(3R)-piperidin-3-yl]azetidin-2-one is CC1(C)CN([C@@H]2CCCNC2)C1=O.
What is the InChIKey of 3,3-dimethyl-1-[(3R)-piperidin-3-yl]azetidin-2-one?
The InChIKey is DJHVIFYDSPVZIE-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-10(2)7-12(9(10)13)8-4-3-5-11-6-8/h8,11H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of 3,3-dimethyl-1-[(3R)-piperidin-3-yl]azetidin-2-one?
3,3-dimethyl-1-[(3R)-piperidin-3-yl]azetidin-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-[(3R)-piperidin-3-yl]azetidin-2-one is sourced from PubChem (CID 129450905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).