2-cyclopropyl-6-(piperidin-4-ylmethyl)-3H-isoindol-1-one

C17H22N2O — CID 117429366

IUPAC2-cyclopropyl-6-(piperidin-4-ylmethyl)-3H-isoindol-1-one
SMILESO=C1c2cc(CC3CCNCC3)ccc2CN1C1CC1
InChIInChI=1S/C17H22N2O/c20-17-16-10-13(9-12-5-7-18-8-6-12)1-2-14(16)11-19(17)15-3-4-15/h1-2,10,12,15,18H,3-9,11H2
InChIKeyQNDVYIQOUSFBAT-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.35
Rot. Bonds3

About 2-cyclopropyl-6-(piperidin-4-ylmethyl)-3H-isoindol-1-one

2-cyclopropyl-6-(piperidin-4-ylmethyl)-3H-isoindol-1-one (PubChem CID 117429366) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-cyclopropyl-6-(piperidin-4-ylmethyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-cyclopropyl-6-(piperidin-4-ylmethyl)-3H-isoindol-1-one
PubChem CID117429366
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-cyclopropyl-6-(piperidin-4-ylmethyl)-3H-isoindol-1-one
SMILESO=C1c2cc(CC3CCNCC3)ccc2CN1C1CC1
InChIInChI=1S/C17H22N2O/c20-17-16-10-13(9-12-5-7-18-8-6-12)1-2-14(16)11-19(17)15-3-4-15/h1-2,10,12,15,18H,3-9,11H2
InChIKeyQNDVYIQOUSFBAT-UHFFFAOYSA-N
XLogP2.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-hydroxy-2-piperidin-4-yl-3H-isoindol-1-one
CID 129014061
2-cyclopropyl-6-piperidin-4-yloxy-3H-isoindol-1-one
CID 129278486
2-cyclopropyl-6-[2-(methylamino)ethyl]-3H-isoindol-1-one
CID 83840436
4-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)butanoic acid
CID 117401771
4-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidine
CID 23294446
2-cyclopropyl-6-piperidin-3-yl-3H-isoindol-1-one
CID 117394555
2-cyclopropyl-3-oxo-1H-isoindole-5-carbaldehyde
CID 83819356
2-cyclopropyl-6-pyrrolidin-2-yl-3H-isoindol-1-one
CID 117358132
3-[5-[(azepan-4-ylmethylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167715327
5-(piperidin-4-ylmethyl)-1,3-dihydroindol-2-one
CID 82231323
4-[(3-methyl-2,3-dihydro-1H-inden-5-yl)methyl]piperidine
CID 84793092
6-(piperidin-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82232043

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(piperidin-4-ylmethyl)-3H-isoindol-1-one?
The IUPAC name of 2-cyclopropyl-6-(piperidin-4-ylmethyl)-3H-isoindol-1-one (CID 117429366) is 2-cyclopropyl-6-(piperidin-4-ylmethyl)-3H-isoindol-1-one.
What is the SMILES notation for 2-cyclopropyl-6-(piperidin-4-ylmethyl)-3H-isoindol-1-one?
The canonical SMILES for 2-cyclopropyl-6-(piperidin-4-ylmethyl)-3H-isoindol-1-one is O=C1c2cc(CC3CCNCC3)ccc2CN1C1CC1.
What is the InChIKey of 2-cyclopropyl-6-(piperidin-4-ylmethyl)-3H-isoindol-1-one?
The InChIKey is QNDVYIQOUSFBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c20-17-16-10-13(9-12-5-7-18-8-6-12)1-2-14(16)11-19(17)15-3-4-15/h1-2,10,12,15,18H,3-9,11H2.
What are the key properties of 2-cyclopropyl-6-(piperidin-4-ylmethyl)-3H-isoindol-1-one?
2-cyclopropyl-6-(piperidin-4-ylmethyl)-3H-isoindol-1-one has a molecular weight of 270.38 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(piperidin-4-ylmethyl)-3H-isoindol-1-one is sourced from PubChem (CID 117429366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).