2-piperidin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)-3H-isoindol-1-one

C18H23N3O — CID 170163278

IUPAC2-piperidin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)-3H-isoindol-1-one
SMILESO=C1c2ccc(C3=CCNCC3)cc2CN1C1CCCNC1
InChIInChI=1S/C18H23N3O/c22-18-17-4-3-14(13-5-8-19-9-6-13)10-15(17)12-21(18)16-2-1-7-20-11-16/h3-5,10,16,19-20H,1-2,6-9,11-12H2
InChIKeyDMMDBQGRPFCDBS-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.77
Rot. Bonds2

About 2-piperidin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)-3H-isoindol-1-one

2-piperidin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)-3H-isoindol-1-one (PubChem CID 170163278) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-piperidin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-piperidin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)-3H-isoindol-1-one
PubChem CID170163278
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-piperidin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)-3H-isoindol-1-one
SMILESO=C1c2ccc(C3=CCNCC3)cc2CN1C1CCCNC1
InChIInChI=1S/C18H23N3O/c22-18-17-4-3-14(13-5-8-19-9-6-13)10-15(17)12-21(18)16-2-1-7-20-11-16/h3-5,10,16,19-20H,1-2,6-9,11-12H2
InChIKeyDMMDBQGRPFCDBS-UHFFFAOYSA-N
XLogP1.77
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-aminoquinazolin-2-yl)-2-piperidin-3-yl-3H-isoindol-1-one
CID 175840473
5-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propyl]-2-piperidin-3-yl-3H-isoindol-1-one
CID 175824867
2-piperidin-3-yl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-3H-isoindol-1-one
CID 170163332
2-piperidin-3-yl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one
CID 150210420
2-(6-oxopiperidin-3-yl)-5-phenyl-3H-isoindol-1-one
CID 168875078
5-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-2-piperidin-3-yl-3H-isoindol-1-one
CID 175880127
5-(3,6-diazabicyclo[3.1.1]heptan-6-yl)-6-fluoro-2-piperidin-3-yl-3H-isoindol-1-one
CID 175880423
2-piperidin-3-yl-5-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one
CID 151756022
5-[1-[(1S)-2-hydroxy-1-phenylethyl]piperidin-4-yl]-2-piperidin-3-yl-3H-isoindol-1-one
CID 170163358
2-cyclopropyl-6-piperidin-3-yl-3H-isoindol-1-one
CID 117394555
5-[1-[(3-anilinophenyl)methyl]piperidin-4-yl]-2-piperidin-3-yl-3H-isoindol-1-one
CID 175750870
3-[3-oxo-6-[[(2-piperidin-3-ylpyrazol-3-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167724062

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)-3H-isoindol-1-one?
The IUPAC name of 2-piperidin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)-3H-isoindol-1-one (CID 170163278) is 2-piperidin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)-3H-isoindol-1-one.
What is the SMILES notation for 2-piperidin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)-3H-isoindol-1-one?
The canonical SMILES for 2-piperidin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)-3H-isoindol-1-one is O=C1c2ccc(C3=CCNCC3)cc2CN1C1CCCNC1.
What is the InChIKey of 2-piperidin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)-3H-isoindol-1-one?
The InChIKey is DMMDBQGRPFCDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c22-18-17-4-3-14(13-5-8-19-9-6-13)10-15(17)12-21(18)16-2-1-7-20-11-16/h3-5,10,16,19-20H,1-2,6-9,11-12H2.
What are the key properties of 2-piperidin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)-3H-isoindol-1-one?
2-piperidin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)-3H-isoindol-1-one has a molecular weight of 297.40 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)-3H-isoindol-1-one is sourced from PubChem (CID 170163278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).