2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione

C17H20N2O3 — CID 23738645

IUPAC2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
SMILESCC1CCN(C(=O)C(C)N2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C17H20N2O3/c1-11-7-9-18(10-8-11)15(20)12(2)19-16(21)13-5-3-4-6-14(13)17(19)22/h3-6,11-12H,7-10H2,1-2H3
InChIKeyITAVPDVOKGHGSQ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.93
Rot. Bonds2

About 2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione

2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione (PubChem CID 23738645) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
PubChem CID23738645
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
SMILESCC1CCN(C(=O)C(C)N2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C17H20N2O3/c1-11-7-9-18(10-8-11)15(20)12(2)19-16(21)13-5-3-4-6-14(13)17(19)22/h3-6,11-12H,7-10H2,1-2H3
InChIKeyITAVPDVOKGHGSQ-UHFFFAOYSA-N
XLogP1.93
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione 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

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 4648818
2-[(2R)-1-[13-[(2R)-2-(1,3-dioxoisoindol-2-yl)propanoyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 7073934
2-[(2S)-1-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 6967858
3-chloro-N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 108564507
2-[(2R)-1-[4-(2-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 1240265
2-[1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 108762237
2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
CID 757446
benzyl N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]carbamate
CID 108564521
2-[1-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 55464987
N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 108557373
2-[1-(4-aminopiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]isoindole-1,3-dione;hydrochloride
CID 119375549
8-[2-(1,3-dioxoisoindol-2-yl)propanoyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110494007

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione (CID 23738645) is 2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione is CC1CCN(C(=O)C(C)N2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of 2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione?
The InChIKey is ITAVPDVOKGHGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11-7-9-18(10-8-11)15(20)12(2)19-16(21)13-5-3-4-6-14(13)17(19)22/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione?
2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione has a molecular weight of 300.36 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 23738645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).