1-(2-piperidin-4-yl-1,3-dihydroisoindol-5-yl)ethanone

C15H20N2O — CID 82164009

IUPAC1-(2-piperidin-4-yl-1,3-dihydroisoindol-5-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)CN(C1CCNCC1)C2
InChIInChI=1S/C15H20N2O/c1-11(18)12-2-3-13-9-17(10-14(13)8-12)15-4-6-16-7-5-15/h2-3,8,15-16H,4-7,9-10H2,1H3
InChIKeyJZPBNCZTWHHMRD-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.96
Rot. Bonds2

About 1-(2-piperidin-4-yl-1,3-dihydroisoindol-5-yl)ethanone

1-(2-piperidin-4-yl-1,3-dihydroisoindol-5-yl)ethanone (PubChem CID 82164009) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(2-piperidin-4-yl-1,3-dihydroisoindol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-piperidin-4-yl-1,3-dihydroisoindol-5-yl)ethanone
PubChem CID82164009
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(2-piperidin-4-yl-1,3-dihydroisoindol-5-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)CN(C1CCNCC1)C2
InChIInChI=1S/C15H20N2O/c1-11(18)12-2-3-13-9-17(10-14(13)8-12)15-4-6-16-7-5-15/h2-3,8,15-16H,4-7,9-10H2,1H3
InChIKeyJZPBNCZTWHHMRD-UHFFFAOYSA-N
XLogP1.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-4-yl-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 82582144
5-acetyl-1-piperidin-4-yl-3H-indol-2-one
CID 84758259
1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone
CID 67161719
2-(3,4-dimethylcyclohexyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103999984
1-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)ethanone
CID 84751024
2-(5-acetyl-1,3-dihydroisoindol-2-yl)acetic acid
CID 82164001
2-(piperidin-4-ylcarbamoyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103999757
N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide
CID 110459292
1-(2-pentyl-1,3-dihydroisoindol-5-yl)ethanone
CID 82163868
N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)benzamide
CID 110461592
2-(oxan-3-yl)-1,3-dihydroisoindole-5-carboxylic acid
CID 107135412
5-(5-acetyl-1,3-dihydroisoindol-2-yl)pentanoic acid
CID 82164020

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-4-yl-1,3-dihydroisoindol-5-yl)ethanone?
The IUPAC name of 1-(2-piperidin-4-yl-1,3-dihydroisoindol-5-yl)ethanone (CID 82164009) is 1-(2-piperidin-4-yl-1,3-dihydroisoindol-5-yl)ethanone.
What is the SMILES notation for 1-(2-piperidin-4-yl-1,3-dihydroisoindol-5-yl)ethanone?
The canonical SMILES for 1-(2-piperidin-4-yl-1,3-dihydroisoindol-5-yl)ethanone is CC(=O)c1ccc2c(c1)CN(C1CCNCC1)C2.
What is the InChIKey of 1-(2-piperidin-4-yl-1,3-dihydroisoindol-5-yl)ethanone?
The InChIKey is JZPBNCZTWHHMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(18)12-2-3-13-9-17(10-14(13)8-12)15-4-6-16-7-5-15/h2-3,8,15-16H,4-7,9-10H2,1H3.
What are the key properties of 1-(2-piperidin-4-yl-1,3-dihydroisoindol-5-yl)ethanone?
1-(2-piperidin-4-yl-1,3-dihydroisoindol-5-yl)ethanone has a molecular weight of 244.34 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-4-yl-1,3-dihydroisoindol-5-yl)ethanone is sourced from PubChem (CID 82164009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).