6-[(2,2-dimethyl-6-oxooxan-4-yl)methyl]-6-methylpiperidin-2-one

C14H23NO3 — CID 146345971

IUPAC6-[(2,2-dimethyl-6-oxooxan-4-yl)methyl]-6-methylpiperidin-2-one
SMILESCC1(CC2CC(=O)OC(C)(C)C2)CCCC(=O)N1
InChIInChI=1S/C14H23NO3/c1-13(2)8-10(7-12(17)18-13)9-14(3)6-4-5-11(16)15-14/h10H,4-9H2,1-3H3,(H,15,16)
InChIKeyBYVHRKFNGKAUPC-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.17
Rot. Bonds2

About 6-[(2,2-dimethyl-6-oxooxan-4-yl)methyl]-6-methylpiperidin-2-one

6-[(2,2-dimethyl-6-oxooxan-4-yl)methyl]-6-methylpiperidin-2-one (PubChem CID 146345971) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 6-[(2,2-dimethyl-6-oxooxan-4-yl)methyl]-6-methylpiperidin-2-one.

Molecular Properties

Compound Name6-[(2,2-dimethyl-6-oxooxan-4-yl)methyl]-6-methylpiperidin-2-one
PubChem CID146345971
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name6-[(2,2-dimethyl-6-oxooxan-4-yl)methyl]-6-methylpiperidin-2-one
SMILESCC1(CC2CC(=O)OC(C)(C)C2)CCCC(=O)N1
InChIInChI=1S/C14H23NO3/c1-13(2)8-10(7-12(17)18-13)9-14(3)6-4-5-11(16)15-14/h10H,4-9H2,1-3H3,(H,15,16)
InChIKeyBYVHRKFNGKAUPC-UHFFFAOYSA-N
XLogP2.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate
CID 175458024
methyl (2S)-3-(6,6-dimethyl-2-oxopiperidin-3-yl)-2-methylpropanoate
CID 167608778

Frequently Asked Questions

What is the IUPAC name of 6-[(2,2-dimethyl-6-oxooxan-4-yl)methyl]-6-methylpiperidin-2-one?
The IUPAC name of 6-[(2,2-dimethyl-6-oxooxan-4-yl)methyl]-6-methylpiperidin-2-one (CID 146345971) is 6-[(2,2-dimethyl-6-oxooxan-4-yl)methyl]-6-methylpiperidin-2-one.
What is the SMILES notation for 6-[(2,2-dimethyl-6-oxooxan-4-yl)methyl]-6-methylpiperidin-2-one?
The canonical SMILES for 6-[(2,2-dimethyl-6-oxooxan-4-yl)methyl]-6-methylpiperidin-2-one is CC1(CC2CC(=O)OC(C)(C)C2)CCCC(=O)N1.
What is the InChIKey of 6-[(2,2-dimethyl-6-oxooxan-4-yl)methyl]-6-methylpiperidin-2-one?
The InChIKey is BYVHRKFNGKAUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-13(2)8-10(7-12(17)18-13)9-14(3)6-4-5-11(16)15-14/h10H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 6-[(2,2-dimethyl-6-oxooxan-4-yl)methyl]-6-methylpiperidin-2-one?
6-[(2,2-dimethyl-6-oxooxan-4-yl)methyl]-6-methylpiperidin-2-one has a molecular weight of 253.34 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2-dimethyl-6-oxooxan-4-yl)methyl]-6-methylpiperidin-2-one is sourced from PubChem (CID 146345971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).