4,7,7-trimethyl-1-(piperidine-1-carbonyl)-2-oxabicyclo[2.2.1]heptan-3-one

C15H23NO3 — CID 2941005

IUPAC4,7,7-trimethyl-1-(piperidine-1-carbonyl)-2-oxabicyclo[2.2.1]heptan-3-one
SMILESCC12CCC(C(=O)N3CCCCC3)(OC1=O)C2(C)C
InChIInChI=1S/C15H23NO3/c1-13(2)14(3)7-8-15(13,19-12(14)18)11(17)16-9-5-4-6-10-16/h4-10H2,1-3H3
InChIKeyCUEFTPINHIGJDN-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.12
Rot. Bonds1

About 4,7,7-trimethyl-1-(piperidine-1-carbonyl)-2-oxabicyclo[2.2.1]heptan-3-one

4,7,7-trimethyl-1-(piperidine-1-carbonyl)-2-oxabicyclo[2.2.1]heptan-3-one (PubChem CID 2941005) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4,7,7-trimethyl-1-(piperidine-1-carbonyl)-2-oxabicyclo[2.2.1]heptan-3-one.

Molecular Properties

Compound Name4,7,7-trimethyl-1-(piperidine-1-carbonyl)-2-oxabicyclo[2.2.1]heptan-3-one
PubChem CID2941005
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4,7,7-trimethyl-1-(piperidine-1-carbonyl)-2-oxabicyclo[2.2.1]heptan-3-one
SMILESCC12CCC(C(=O)N3CCCCC3)(OC1=O)C2(C)C
InChIInChI=1S/C15H23NO3/c1-13(2)14(3)7-8-15(13,19-12(14)18)11(17)16-9-5-4-6-10-16/h4-10H2,1-3H3
InChIKeyCUEFTPINHIGJDN-UHFFFAOYSA-N
XLogP2.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,7,7-trimethyl-N-[3-(morpholin-4-yl)propyl]-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 663058
N-ethyl-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 435568
4,7,7-trimethyl-3-oxo-N-propyl-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 5238680
1-(1-Azepanylcarbonyl)-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one
CID 2898384
Methyl 1-[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl]-4-piperidinecarboxylate
CID 2978233
N,N-diisobutyl-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 3622808
4,7,7-Trimethyl-1-(thiomorpholine-4-carbonyl)-2-oxabicyclo[2.2.1]heptan-3-one
CID 2741302
1,7,7-Trimethyl-4-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octane-7-carbonyl)-3-oxabicyclo[2.2.1]heptan-2-one
CID 2921788
4,7,7-Trimethyl-1-[(4-methylpiperidin-1-yl)carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one
CID 2921911
4,7,7-Trimethyl-1-(pyrrolidin-1-ylcarbonyl)-2-oxabicyclo[2.2.1]heptan-3-one
CID 2941187
4,7,7-Trimethyl-1-(morpholin-4-ylcarbonyl)-2-oxabicyclo[2.2.1]heptan-3-one
CID 2941885
N,N-bis(cyanomethyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 3159348

Frequently Asked Questions

What is the IUPAC name of 4,7,7-trimethyl-1-(piperidine-1-carbonyl)-2-oxabicyclo[2.2.1]heptan-3-one?
The IUPAC name of 4,7,7-trimethyl-1-(piperidine-1-carbonyl)-2-oxabicyclo[2.2.1]heptan-3-one (CID 2941005) is 4,7,7-trimethyl-1-(piperidine-1-carbonyl)-2-oxabicyclo[2.2.1]heptan-3-one.
What is the SMILES notation for 4,7,7-trimethyl-1-(piperidine-1-carbonyl)-2-oxabicyclo[2.2.1]heptan-3-one?
The canonical SMILES for 4,7,7-trimethyl-1-(piperidine-1-carbonyl)-2-oxabicyclo[2.2.1]heptan-3-one is CC12CCC(C(=O)N3CCCCC3)(OC1=O)C2(C)C.
What is the InChIKey of 4,7,7-trimethyl-1-(piperidine-1-carbonyl)-2-oxabicyclo[2.2.1]heptan-3-one?
The InChIKey is CUEFTPINHIGJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-13(2)14(3)7-8-15(13,19-12(14)18)11(17)16-9-5-4-6-10-16/h4-10H2,1-3H3.
What are the key properties of 4,7,7-trimethyl-1-(piperidine-1-carbonyl)-2-oxabicyclo[2.2.1]heptan-3-one?
4,7,7-trimethyl-1-(piperidine-1-carbonyl)-2-oxabicyclo[2.2.1]heptan-3-one has a molecular weight of 265.35 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7-trimethyl-1-(piperidine-1-carbonyl)-2-oxabicyclo[2.2.1]heptan-3-one is sourced from PubChem (CID 2941005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).