3-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-2-one

C15H19NO — CID 104679081

IUPAC3-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-2-one
SMILESO=C1NCCCC1Cc1ccc2c(c1)CCC2
InChIInChI=1S/C15H19NO/c17-15-14(5-2-8-16-15)10-11-6-7-12-3-1-4-13(12)9-11/h6-7,9,14H,1-5,8,10H2,(H,16,17)
InChIKeyYTDZMLJKWOCKAR-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.24
Rot. Bonds2

About 3-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-2-one

3-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-2-one (PubChem CID 104679081) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-2-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-2-one
PubChem CID104679081
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name3-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-2-one
SMILESO=C1NCCCC1Cc1ccc2c(c1)CCC2
InChIInChI=1S/C15H19NO/c17-15-14(5-2-8-16-15)10-11-6-7-12-3-1-4-13(12)9-11/h6-7,9,14H,1-5,8,10H2,(H,16,17)
InChIKeyYTDZMLJKWOCKAR-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-2-one?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-2-one (CID 104679081) is 3-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-2-one.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-2-one?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-2-one is O=C1NCCCC1Cc1ccc2c(c1)CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-2-one?
The InChIKey is YTDZMLJKWOCKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c17-15-14(5-2-8-16-15)10-11-6-7-12-3-1-4-13(12)9-11/h6-7,9,14H,1-5,8,10H2,(H,16,17).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-2-one?
3-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-2-one has a molecular weight of 229.32 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-2-one is sourced from PubChem (CID 104679081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).