1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidin-2-one

C15H25NO — CID 22486729

IUPAC1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidin-2-one
SMILESCC1(C)C2CCC1(C)C(N1CCCCC1=O)C2
InChIInChI=1S/C15H25NO/c1-14(2)11-7-8-15(14,3)12(10-11)16-9-5-4-6-13(16)17/h11-12H,4-10H2,1-3H3
InChIKeyHIOYFPMDMSVEID-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.21
Rot. Bonds1

About 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidin-2-one

1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidin-2-one (PubChem CID 22486729) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidin-2-one.

Molecular Properties

Compound Name1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidin-2-one
PubChem CID22486729
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidin-2-one
SMILESCC1(C)C2CCC1(C)C(N1CCCCC1=O)C2
InChIInChI=1S/C15H25NO/c1-14(2)11-7-8-15(14,3)12(10-11)16-9-5-4-6-13(16)17/h11-12H,4-10H2,1-3H3
InChIKeyHIOYFPMDMSVEID-UHFFFAOYSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidin-2-one?
The IUPAC name of 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidin-2-one (CID 22486729) is 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidin-2-one.
What is the SMILES notation for 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidin-2-one?
The canonical SMILES for 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidin-2-one is CC1(C)C2CCC1(C)C(N1CCCCC1=O)C2.
What is the InChIKey of 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidin-2-one?
The InChIKey is HIOYFPMDMSVEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-14(2)11-7-8-15(14,3)12(10-11)16-9-5-4-6-13(16)17/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidin-2-one?
1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidin-2-one has a molecular weight of 235.37 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidin-2-one is sourced from PubChem (CID 22486729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).