4-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)piperidin-2-one

C15H24N2O2 — CID 71918606

IUPAC4-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)piperidin-2-one
SMILESCC1CC2CCCCC2N1C(=O)C1CCNC(=O)C1
InChIInChI=1S/C15H24N2O2/c1-10-8-11-4-2-3-5-13(11)17(10)15(19)12-6-7-16-14(18)9-12/h10-13H,2-9H2,1H3,(H,16,18)
InChIKeyAACDJFWMRRJIBK-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.69
Rot. Bonds1

About 4-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)piperidin-2-one

4-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)piperidin-2-one (PubChem CID 71918606) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name4-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)piperidin-2-one
PubChem CID71918606
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)piperidin-2-one
SMILESCC1CC2CCCCC2N1C(=O)C1CCNC(=O)C1
InChIInChI=1S/C15H24N2O2/c1-10-8-11-4-2-3-5-13(11)17(10)15(19)12-6-7-16-14(18)9-12/h10-13H,2-9H2,1H3,(H,16,18)
InChIKeyAACDJFWMRRJIBK-UHFFFAOYSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)piperidin-2-one?
The IUPAC name of 4-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)piperidin-2-one (CID 71918606) is 4-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)piperidin-2-one.
What is the SMILES notation for 4-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)piperidin-2-one?
The canonical SMILES for 4-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)piperidin-2-one is CC1CC2CCCCC2N1C(=O)C1CCNC(=O)C1.
What is the InChIKey of 4-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)piperidin-2-one?
The InChIKey is AACDJFWMRRJIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10-8-11-4-2-3-5-13(11)17(10)15(19)12-6-7-16-14(18)9-12/h10-13H,2-9H2,1H3,(H,16,18).
What are the key properties of 4-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)piperidin-2-one?
4-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)piperidin-2-one has a molecular weight of 264.37 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 71918606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).