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

C16H25NO2 — CID 2897994

IUPAC1,7,7-trimethyl-4-(piperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
SMILESCC12CCC(C(=O)N3CCCCC3)(CC1=O)C2(C)C
InChIInChI=1S/C16H25NO2/c1-14(2)15(3)7-8-16(14,11-12(15)18)13(19)17-9-5-4-6-10-17/h4-11H2,1-3H3
InChIKeyUDFWTAUSNQYSLW-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.78
Rot. Bonds1

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

1,7,7-trimethyl-4-(piperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one (PubChem CID 2897994) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1,7,7-trimethyl-4-(piperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name1,7,7-trimethyl-4-(piperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
PubChem CID2897994
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1,7,7-trimethyl-4-(piperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
SMILESCC12CCC(C(=O)N3CCCCC3)(CC1=O)C2(C)C
InChIInChI=1S/C16H25NO2/c1-14(2)15(3)7-8-16(14,11-12(15)18)13(19)17-9-5-4-6-10-17/h4-11H2,1-3H3
InChIKeyUDFWTAUSNQYSLW-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

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Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-4-(piperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one?
The IUPAC name of 1,7,7-trimethyl-4-(piperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one (CID 2897994) is 1,7,7-trimethyl-4-(piperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 1,7,7-trimethyl-4-(piperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 1,7,7-trimethyl-4-(piperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one is CC12CCC(C(=O)N3CCCCC3)(CC1=O)C2(C)C.
What is the InChIKey of 1,7,7-trimethyl-4-(piperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one?
The InChIKey is UDFWTAUSNQYSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-14(2)15(3)7-8-16(14,11-12(15)18)13(19)17-9-5-4-6-10-17/h4-11H2,1-3H3.
What are the key properties of 1,7,7-trimethyl-4-(piperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one?
1,7,7-trimethyl-4-(piperidine-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 1,7,7-trimethyl-4-(piperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 2897994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).