2-(2-piperidin-2-ylethyl)-3H-isoindol-1-one

C15H20N2O — CID 117030133

IUPAC2-(2-piperidin-2-ylethyl)-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1CCC1CCCCN1
InChIInChI=1S/C15H20N2O/c18-15-14-7-2-1-5-12(14)11-17(15)10-8-13-6-3-4-9-16-13/h1-2,5,7,13,16H,3-4,6,8-11H2
InChIKeyOUSHWJMKFOPWCB-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.17
Rot. Bonds3

About 2-(2-piperidin-2-ylethyl)-3H-isoindol-1-one

2-(2-piperidin-2-ylethyl)-3H-isoindol-1-one (PubChem CID 117030133) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(2-piperidin-2-ylethyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(2-piperidin-2-ylethyl)-3H-isoindol-1-one
PubChem CID117030133
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-(2-piperidin-2-ylethyl)-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1CCC1CCCCN1
InChIInChI=1S/C15H20N2O/c18-15-14-7-2-1-5-12(14)11-17(15)10-8-13-6-3-4-9-16-13/h1-2,5,7,13,16H,3-4,6,8-11H2
InChIKeyOUSHWJMKFOPWCB-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-methylpiperazin-2-yl)ethyl]-3H-isoindol-1-one
CID 117030142
2-(3-pyrrolidin-2-ylpropyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 104526005
2-(2-piperidin-2-ylethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 53408872
2-(3-pyrrolidin-2-ylpropyl)-4H-isoquinoline-1,3-dione
CID 62478350
1-methyl-4-(2-pyrrolidin-2-ylethyl)-3H-quinoxalin-2-one
CID 117030800
4-(2-piperidin-2-ylethyl)-1,4-benzoxazin-3-one
CID 61348095
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-2-ylpropan-1-one
CID 62210843
2-(aminomethyl)-3H-isoindol-1-one
CID 143012246
2-(2-cyclopropylethyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 113422912
1-cyclohexyl-3-[2-(3-oxo-1H-isoindol-2-yl)ethyl]thiourea
CID 726999
2-[3-(4-benzylpiperidin-1-yl)propyl]-3H-isoindol-1-one
CID 141401122
4-methyl-1-(2-piperidin-2-ylethyl)pyrrolidin-2-one
CID 63104430

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-2-ylethyl)-3H-isoindol-1-one?
The IUPAC name of 2-(2-piperidin-2-ylethyl)-3H-isoindol-1-one (CID 117030133) is 2-(2-piperidin-2-ylethyl)-3H-isoindol-1-one.
What is the SMILES notation for 2-(2-piperidin-2-ylethyl)-3H-isoindol-1-one?
The canonical SMILES for 2-(2-piperidin-2-ylethyl)-3H-isoindol-1-one is O=C1c2ccccc2CN1CCC1CCCCN1.
What is the InChIKey of 2-(2-piperidin-2-ylethyl)-3H-isoindol-1-one?
The InChIKey is OUSHWJMKFOPWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-15-14-7-2-1-5-12(14)11-17(15)10-8-13-6-3-4-9-16-13/h1-2,5,7,13,16H,3-4,6,8-11H2.
What are the key properties of 2-(2-piperidin-2-ylethyl)-3H-isoindol-1-one?
2-(2-piperidin-2-ylethyl)-3H-isoindol-1-one has a molecular weight of 244.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-2-ylethyl)-3H-isoindol-1-one is sourced from PubChem (CID 117030133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).