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

C16H25NO2 — CID 18834162

IUPAC7,7-dimethyl-1-(2-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
SMILESCC1CCCCN1C(=O)C12CCC(CC1=O)C2(C)C
InChIInChI=1S/C16H25NO2/c1-11-6-4-5-9-17(11)14(19)16-8-7-12(10-13(16)18)15(16,2)3/h11-12H,4-10H2,1-3H3
InChIKeyCTTZYOBUGYPTIY-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.78
Rot. Bonds1

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

7,7-dimethyl-1-(2-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one (PubChem CID 18834162) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 7,7-dimethyl-1-(2-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name7,7-dimethyl-1-(2-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
PubChem CID18834162
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name7,7-dimethyl-1-(2-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
SMILESCC1CCCCN1C(=O)C12CCC(CC1=O)C2(C)C
InChIInChI=1S/C16H25NO2/c1-11-6-4-5-9-17(11)14(19)16-8-7-12(10-13(16)18)15(16,2)3/h11-12H,4-10H2,1-3H3
InChIKeyCTTZYOBUGYPTIY-UHFFFAOYSA-N
XLogP2.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.78
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-(2-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one?
The IUPAC name of 7,7-dimethyl-1-(2-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one (CID 18834162) is 7,7-dimethyl-1-(2-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 7,7-dimethyl-1-(2-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 7,7-dimethyl-1-(2-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one is CC1CCCCN1C(=O)C12CCC(CC1=O)C2(C)C.
What is the InChIKey of 7,7-dimethyl-1-(2-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one?
The InChIKey is CTTZYOBUGYPTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-6-4-5-9-17(11)14(19)16-8-7-12(10-13(16)18)15(16,2)3/h11-12H,4-10H2,1-3H3.
What are the key properties of 7,7-dimethyl-1-(2-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one?
7,7-dimethyl-1-(2-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one has a molecular weight of 263.38 g/mol, XLogP of 2.78, 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-(2-methylpiperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 18834162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).