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

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Related Compounds

(3R)-3-[(4-fluorophenyl)methyl]piperidin-2-one
CID 93477738
(3R)-3-[(4-bromophenyl)methyl]piperidin-2-one
CID 124593006
3-[(4-iodophenyl)methyl]piperidin-2-one
CID 104679212
(3S)-3-[(3-chlorophenyl)methyl]piperidin-2-one
CID 124592994
(3R)-3-[(3-fluorophenyl)methyl]piperidin-2-one
CID 124592992
3-[(3,4-dimethylphenyl)methyl]azepan-2-one
CID 113440321
3-[(3-methylphenyl)methyl]azepan-2-one
CID 104679648
3-[(4-methoxy-3-nitrophenyl)methyl]piperidin-2-one
CID 104679139
4-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidine
CID 23294446
3-[(dimethylamino)methyl]piperidin-2-one
CID 152616281
3-[(2,5-dimethylphenyl)methyl]piperidin-2-one
CID 104679078
3-[[4-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]phenyl]methyl]piperidin-2-one
CID 110253921

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).