5-[4-(methylamino)piperidine-1-carbonyl]-2,3-dihydroisoindol-1-one

C15H19N3O2 — CID 90382707

IUPAC5-[4-(methylamino)piperidine-1-carbonyl]-2,3-dihydroisoindol-1-one
SMILESCNC1CCN(C(=O)c2ccc3c(c2)CNC3=O)CC1
InChIInChI=1S/C15H19N3O2/c1-16-12-4-6-18(7-5-12)15(20)10-2-3-13-11(8-10)9-17-14(13)19/h2-3,8,12,16H,4-7,9H2,1H3,(H,17,19)
InChIKeyIWPYBYBWTNGHFE-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.75
Rot. Bonds2

About 5-[4-(methylamino)piperidine-1-carbonyl]-2,3-dihydroisoindol-1-one

5-[4-(methylamino)piperidine-1-carbonyl]-2,3-dihydroisoindol-1-one (PubChem CID 90382707) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-[4-(methylamino)piperidine-1-carbonyl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name5-[4-(methylamino)piperidine-1-carbonyl]-2,3-dihydroisoindol-1-one
PubChem CID90382707
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-[4-(methylamino)piperidine-1-carbonyl]-2,3-dihydroisoindol-1-one
SMILESCNC1CCN(C(=O)c2ccc3c(c2)CNC3=O)CC1
InChIInChI=1S/C15H19N3O2/c1-16-12-4-6-18(7-5-12)15(20)10-2-3-13-11(8-10)9-17-14(13)19/h2-3,8,12,16H,4-7,9H2,1H3,(H,17,19)
InChIKeyIWPYBYBWTNGHFE-UHFFFAOYSA-N
XLogP0.75
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[4-(methylamino)piperidine-1-carbonyl]-2,3-dihydroisoindol-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

(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
(3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559758
(4-fluoro-3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 90382644
(2-chloro-4-pyridinyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 89194471
1-methyl-4-[4-(methylamino)piperidine-1-carbonyl]pyridin-2-one
CID 113263745
(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
2-butyl-5-[4-(methylamino)piperidine-1-carbonyl]isoindole-1,3-dione
CID 119563122
(3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818037
5-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]-2,3-dihydroisoindol-1-one
CID 119098930
(3-bromo-4-methylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563275
3-[4-(methylamino)piperidine-1-carbonyl]-10,10-dioxothioxanthen-9-one;hydrochloride
CID 119561026
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562

Frequently Asked Questions

What is the IUPAC name of 5-[4-(methylamino)piperidine-1-carbonyl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 5-[4-(methylamino)piperidine-1-carbonyl]-2,3-dihydroisoindol-1-one (CID 90382707) is 5-[4-(methylamino)piperidine-1-carbonyl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 5-[4-(methylamino)piperidine-1-carbonyl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 5-[4-(methylamino)piperidine-1-carbonyl]-2,3-dihydroisoindol-1-one is CNC1CCN(C(=O)c2ccc3c(c2)CNC3=O)CC1.
What is the InChIKey of 5-[4-(methylamino)piperidine-1-carbonyl]-2,3-dihydroisoindol-1-one?
The InChIKey is IWPYBYBWTNGHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-16-12-4-6-18(7-5-12)15(20)10-2-3-13-11(8-10)9-17-14(13)19/h2-3,8,12,16H,4-7,9H2,1H3,(H,17,19).
What are the key properties of 5-[4-(methylamino)piperidine-1-carbonyl]-2,3-dihydroisoindol-1-one?
5-[4-(methylamino)piperidine-1-carbonyl]-2,3-dihydroisoindol-1-one has a molecular weight of 273.34 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methylamino)piperidine-1-carbonyl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 90382707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).