3-(2,3-dihydro-1H-isoindol-5-yl)-1-piperidin-1-ylpropan-1-one

C16H22N2O — CID 115104716

IUPAC3-(2,3-dihydro-1H-isoindol-5-yl)-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCc1ccc2c(c1)CNC2)N1CCCCC1
InChIInChI=1S/C16H22N2O/c19-16(18-8-2-1-3-9-18)7-5-13-4-6-14-11-17-12-15(14)10-13/h4,6,10,17H,1-3,5,7-9,11-12H2
InChIKeyBJNHVYNEUROQSU-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.23
Rot. Bonds3

About 3-(2,3-dihydro-1H-isoindol-5-yl)-1-piperidin-1-ylpropan-1-one

3-(2,3-dihydro-1H-isoindol-5-yl)-1-piperidin-1-ylpropan-1-one (PubChem CID 115104716) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-isoindol-5-yl)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-isoindol-5-yl)-1-piperidin-1-ylpropan-1-one
PubChem CID115104716
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name3-(2,3-dihydro-1H-isoindol-5-yl)-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCc1ccc2c(c1)CNC2)N1CCCCC1
InChIInChI=1S/C16H22N2O/c19-16(18-8-2-1-3-9-18)7-5-13-4-6-14-11-17-12-15(14)10-13/h4,6,10,17H,1-3,5,7-9,11-12H2
InChIKeyBJNHVYNEUROQSU-UHFFFAOYSA-N
XLogP2.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-isoindol-5-yl)-1-piperazin-1-ylethanone
CID 115104675
1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone
CID 115104826
methyl 3-(2,3-dihydro-1H-isoindol-5-yl)propanoate
CID 115104742
3-(3-amino-4-piperidin-1-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 82070972
3-(4-chloro-3-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 145472611
3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylpropan-1-one;methanamine
CID 145472486
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 19009076
1-pyrrolidin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-one
CID 110647409
3-(1,3-benzodioxol-5-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one
CID 18153065
1-(azepan-1-yl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-one
CID 115105051
4-(2,3-dihydro-1H-isoindol-5-yl)-2-methylbutan-2-ol
CID 105457920
1-piperazin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82132544

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-isoindol-5-yl)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-(2,3-dihydro-1H-isoindol-5-yl)-1-piperidin-1-ylpropan-1-one (CID 115104716) is 3-(2,3-dihydro-1H-isoindol-5-yl)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(2,3-dihydro-1H-isoindol-5-yl)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-(2,3-dihydro-1H-isoindol-5-yl)-1-piperidin-1-ylpropan-1-one is O=C(CCc1ccc2c(c1)CNC2)N1CCCCC1.
What is the InChIKey of 3-(2,3-dihydro-1H-isoindol-5-yl)-1-piperidin-1-ylpropan-1-one?
The InChIKey is BJNHVYNEUROQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-16(18-8-2-1-3-9-18)7-5-13-4-6-14-11-17-12-15(14)10-13/h4,6,10,17H,1-3,5,7-9,11-12H2.
What are the key properties of 3-(2,3-dihydro-1H-isoindol-5-yl)-1-piperidin-1-ylpropan-1-one?
3-(2,3-dihydro-1H-isoindol-5-yl)-1-piperidin-1-ylpropan-1-one has a molecular weight of 258.36 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-isoindol-5-yl)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 115104716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).