7,7-dimethyl-1-(piperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one

C15H23NO2 — CID 18834225

IUPAC7,7-dimethyl-1-(piperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
SMILESCC1(C)C2CCC1(C(=O)N1CCCCC1)C(=O)C2
InChIInChI=1S/C15H23NO2/c1-14(2)11-6-7-15(14,12(17)10-11)13(18)16-8-4-3-5-9-16/h11H,3-10H2,1-2H3
InChIKeyPTKFPUSMAFDTLO-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.39
Rot. Bonds1

About 7,7-dimethyl-1-(piperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one

7,7-dimethyl-1-(piperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one (PubChem CID 18834225) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 7,7-dimethyl-1-(piperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name7,7-dimethyl-1-(piperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
PubChem CID18834225
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name7,7-dimethyl-1-(piperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
SMILESCC1(C)C2CCC1(C(=O)N1CCCCC1)C(=O)C2
InChIInChI=1S/C15H23NO2/c1-14(2)11-6-7-15(14,12(17)10-11)13(18)16-8-4-3-5-9-16/h11H,3-10H2,1-2H3
InChIKeyPTKFPUSMAFDTLO-UHFFFAOYSA-N
XLogP2.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1-(piperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one?
The IUPAC name of 7,7-dimethyl-1-(piperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one (CID 18834225) is 7,7-dimethyl-1-(piperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 7,7-dimethyl-1-(piperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 7,7-dimethyl-1-(piperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one is CC1(C)C2CCC1(C(=O)N1CCCCC1)C(=O)C2.
What is the InChIKey of 7,7-dimethyl-1-(piperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one?
The InChIKey is PTKFPUSMAFDTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-14(2)11-6-7-15(14,12(17)10-11)13(18)16-8-4-3-5-9-16/h11H,3-10H2,1-2H3.
What are the key properties of 7,7-dimethyl-1-(piperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one?
7,7-dimethyl-1-(piperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one has a molecular weight of 249.35 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1-(piperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 18834225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).