2-cyclopropyl-6-piperidin-4-yloxy-3H-isoindol-1-one

C16H20N2O2 — CID 129278486

IUPAC2-cyclopropyl-6-piperidin-4-yloxy-3H-isoindol-1-one
SMILESO=C1c2cc(OC3CCNCC3)ccc2CN1C1CC1
InChIInChI=1S/C16H20N2O2/c19-16-15-9-14(20-13-5-7-17-8-6-13)4-1-11(15)10-18(16)12-2-3-12/h1,4,9,12-13,17H,2-3,5-8,10H2
InChIKeyIMAMKPQKVVPPRZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.94
Rot. Bonds3

About 2-cyclopropyl-6-piperidin-4-yloxy-3H-isoindol-1-one

2-cyclopropyl-6-piperidin-4-yloxy-3H-isoindol-1-one (PubChem CID 129278486) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-cyclopropyl-6-piperidin-4-yloxy-3H-isoindol-1-one.

Molecular Properties

Compound Name2-cyclopropyl-6-piperidin-4-yloxy-3H-isoindol-1-one
PubChem CID129278486
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-cyclopropyl-6-piperidin-4-yloxy-3H-isoindol-1-one
SMILESO=C1c2cc(OC3CCNCC3)ccc2CN1C1CC1
InChIInChI=1S/C16H20N2O2/c19-16-15-9-14(20-13-5-7-17-8-6-13)4-1-11(15)10-18(16)12-2-3-12/h1,4,9,12-13,17H,2-3,5-8,10H2
InChIKeyIMAMKPQKVVPPRZ-UHFFFAOYSA-N
XLogP1.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-6-piperidin-4-yloxy-3H-isoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-hydroxy-2-piperidin-4-yl-3H-isoindol-1-one
CID 129014061
2-cyclopropyl-6-(piperidin-4-ylmethyl)-3H-isoindol-1-one
CID 117429366
3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione
CID 134413864
2-cyclopropyl-3-oxo-1H-isoindole-5-carbaldehyde
CID 83819356
2-cyclopropyl-6-pyrrolidin-2-yl-3H-isoindol-1-one
CID 117358132
2-[4-(3-bromo-4-isocyanophenoxy)cyclohexyl]-3H-isoindol-1-one
CID 167418020
2-cyclopropyl-6-piperidin-3-yl-3H-isoindol-1-one
CID 117394555
2-piperidin-4-yloxyfluoren-9-one
CID 11572703
4-[4-(5-but-2-ynyl-3-oxo-1H-isoindol-2-yl)cyclohexyl]oxy-2-chlorobenzonitrile
CID 155218723
6-amino-2-(1-methylpiperidin-4-yl)-3H-isoindol-1-one
CID 170046281
6-piperidin-4-yloxy-1,3-dihydroindol-2-one;hydrochloride
CID 82021825
6-(azepan-4-yloxy)-3,4-dihydro-2H-naphthalen-1-one
CID 21287520

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-piperidin-4-yloxy-3H-isoindol-1-one?
The IUPAC name of 2-cyclopropyl-6-piperidin-4-yloxy-3H-isoindol-1-one (CID 129278486) is 2-cyclopropyl-6-piperidin-4-yloxy-3H-isoindol-1-one.
What is the SMILES notation for 2-cyclopropyl-6-piperidin-4-yloxy-3H-isoindol-1-one?
The canonical SMILES for 2-cyclopropyl-6-piperidin-4-yloxy-3H-isoindol-1-one is O=C1c2cc(OC3CCNCC3)ccc2CN1C1CC1.
What is the InChIKey of 2-cyclopropyl-6-piperidin-4-yloxy-3H-isoindol-1-one?
The InChIKey is IMAMKPQKVVPPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-16-15-9-14(20-13-5-7-17-8-6-13)4-1-11(15)10-18(16)12-2-3-12/h1,4,9,12-13,17H,2-3,5-8,10H2.
What are the key properties of 2-cyclopropyl-6-piperidin-4-yloxy-3H-isoindol-1-one?
2-cyclopropyl-6-piperidin-4-yloxy-3H-isoindol-1-one has a molecular weight of 272.35 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-piperidin-4-yloxy-3H-isoindol-1-one is sourced from PubChem (CID 129278486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).