4,4-dimethyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1,3-oxazetidin-2-one

C14H24N2O3 — CID 66827890

IUPAC4,4-dimethyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1,3-oxazetidin-2-one
SMILESCC1(C)OC(=O)N1C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C14H24N2O3/c1-14(2)16(13(17)19-14)12-3-7-15(8-4-12)11-5-9-18-10-6-11/h11-12H,3-10H2,1-2H3
InChIKeyCPGYUCSCUBNBSW-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.82
Rot. Bonds2

About 4,4-dimethyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1,3-oxazetidin-2-one

4,4-dimethyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1,3-oxazetidin-2-one (PubChem CID 66827890) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4,4-dimethyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1,3-oxazetidin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1,3-oxazetidin-2-one
PubChem CID66827890
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name4,4-dimethyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1,3-oxazetidin-2-one
SMILESCC1(C)OC(=O)N1C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C14H24N2O3/c1-14(2)16(13(17)19-14)12-3-7-15(8-4-12)11-5-9-18-10-6-11/h11-12H,3-10H2,1-2H3
InChIKeyCPGYUCSCUBNBSW-UHFFFAOYSA-N
XLogP1.82
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1,3-oxazetidin-2-one?
The IUPAC name of 4,4-dimethyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1,3-oxazetidin-2-one (CID 66827890) is 4,4-dimethyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1,3-oxazetidin-2-one.
What is the SMILES notation for 4,4-dimethyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1,3-oxazetidin-2-one?
The canonical SMILES for 4,4-dimethyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1,3-oxazetidin-2-one is CC1(C)OC(=O)N1C1CCN(C2CCOCC2)CC1.
What is the InChIKey of 4,4-dimethyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1,3-oxazetidin-2-one?
The InChIKey is CPGYUCSCUBNBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-14(2)16(13(17)19-14)12-3-7-15(8-4-12)11-5-9-18-10-6-11/h11-12H,3-10H2,1-2H3.
What are the key properties of 4,4-dimethyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1,3-oxazetidin-2-one?
4,4-dimethyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1,3-oxazetidin-2-one has a molecular weight of 268.36 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1,3-oxazetidin-2-one is sourced from PubChem (CID 66827890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).