2-cyclopropyl-6-piperidin-3-yl-3H-isoindol-1-one

C16H20N2O — CID 117394555

IUPAC2-cyclopropyl-6-piperidin-3-yl-3H-isoindol-1-one
SMILESO=C1c2cc(C3CCCNC3)ccc2CN1C1CC1
InChIInChI=1S/C16H20N2O/c19-16-15-8-11(12-2-1-7-17-9-12)3-4-13(15)10-18(16)14-5-6-14/h3-4,8,12,14,17H,1-2,5-7,9-10H2
InChIKeyMGJMAKAVLMQIBQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.27
Rot. Bonds2

About 2-cyclopropyl-6-piperidin-3-yl-3H-isoindol-1-one

2-cyclopropyl-6-piperidin-3-yl-3H-isoindol-1-one (PubChem CID 117394555) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-cyclopropyl-6-piperidin-3-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name2-cyclopropyl-6-piperidin-3-yl-3H-isoindol-1-one
PubChem CID117394555
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-cyclopropyl-6-piperidin-3-yl-3H-isoindol-1-one
SMILESO=C1c2cc(C3CCCNC3)ccc2CN1C1CC1
InChIInChI=1S/C16H20N2O/c19-16-15-8-11(12-2-1-7-17-9-12)3-4-13(15)10-18(16)14-5-6-14/h3-4,8,12,14,17H,1-2,5-7,9-10H2
InChIKeyMGJMAKAVLMQIBQ-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-6-pyrrolidin-2-yl-3H-isoindol-1-one
CID 117358132
6-hydroxy-2-piperidin-4-yl-3H-isoindol-1-one
CID 129014061
2-cyclopropyl-6-(piperidin-4-ylmethyl)-3H-isoindol-1-one
CID 117429366
2-cyclopropyl-6-piperidin-4-yloxy-3H-isoindol-1-one
CID 129278486
2-piperidin-3-yl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one
CID 150210420
2-cyclopropyl-3-oxo-1H-isoindole-5-carbaldehyde
CID 83819356
2-(1-methylpiperidin-4-yl)-6-[(5S)-5-methylpiperidin-2-yl]-3H-isoindol-1-one
CID 164753272
5-[1-[(1S)-2-hydroxy-1-phenylethyl]piperidin-4-yl]-2-piperidin-3-yl-3H-isoindol-1-one
CID 170163358
2-piperidin-3-yl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-3H-isoindol-1-one
CID 170163332
2-piperidin-3-yl-5-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one
CID 151756022
5-(3,6-diazabicyclo[3.1.1]heptan-6-yl)-6-fluoro-2-piperidin-3-yl-3H-isoindol-1-one
CID 175880423
3-[3-oxo-5-[[[(3R)-piperidin-3-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167740508

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-piperidin-3-yl-3H-isoindol-1-one?
The IUPAC name of 2-cyclopropyl-6-piperidin-3-yl-3H-isoindol-1-one (CID 117394555) is 2-cyclopropyl-6-piperidin-3-yl-3H-isoindol-1-one.
What is the SMILES notation for 2-cyclopropyl-6-piperidin-3-yl-3H-isoindol-1-one?
The canonical SMILES for 2-cyclopropyl-6-piperidin-3-yl-3H-isoindol-1-one is O=C1c2cc(C3CCCNC3)ccc2CN1C1CC1.
What is the InChIKey of 2-cyclopropyl-6-piperidin-3-yl-3H-isoindol-1-one?
The InChIKey is MGJMAKAVLMQIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c19-16-15-8-11(12-2-1-7-17-9-12)3-4-13(15)10-18(16)14-5-6-14/h3-4,8,12,14,17H,1-2,5-7,9-10H2.
What are the key properties of 2-cyclopropyl-6-piperidin-3-yl-3H-isoindol-1-one?
2-cyclopropyl-6-piperidin-3-yl-3H-isoindol-1-one has a molecular weight of 256.35 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-piperidin-3-yl-3H-isoindol-1-one is sourced from PubChem (CID 117394555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).