N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylpiperidine-1-carboxamide

C20H24N4O4 — CID 176766864

IUPACN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)Nc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)C1
InChIInChI=1S/C20H24N4O4/c1-12-3-2-8-23(10-12)20(28)21-14-4-5-15-13(9-14)11-24(19(15)27)16-6-7-17(25)22-18(16)26/h4-5,9,12,16H,2-3,6-8,10-11H2,1H3,(H,21,28)(H,22,25,26)
InChIKeyQKEHOYPNJSVPOU-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.71
Rot. Bonds2

About N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylpiperidine-1-carboxamide

N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylpiperidine-1-carboxamide (PubChem CID 176766864) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylpiperidine-1-carboxamide
PubChem CID176766864
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC NameN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)Nc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)C1
InChIInChI=1S/C20H24N4O4/c1-12-3-2-8-23(10-12)20(28)21-14-4-5-15-13(9-14)11-24(19(15)27)16-6-7-17(25)22-18(16)26/h4-5,9,12,16H,2-3,6-8,10-11H2,1H3,(H,21,28)(H,22,25,26)
InChIKeyQKEHOYPNJSVPOU-UHFFFAOYSA-N
XLogP1.71
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylpiperidine-1-carboxamide 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

N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-azaspiro[3.5]nonane-6-carboxamide
CID 176766722
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,2-dimethylpropanamide
CID 176614145
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carboxamide
CID 166426770
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide
CID 176766826
1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]carbamoyl]-1,3,3-trimethylurea
CID 166426847
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-phenylmorpholine-4-carboxamide
CID 166426751
2-(4-aminocyclohexyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]acetamide
CID 175806262
N-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 176766770
(2R)-N-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 175968705
3-[3-oxo-6-[[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 150749033
(E)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-phenylprop-2-enamide
CID 171088427
3-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4,5-dimethyl-1H-pyrrole-2-carboxamide
CID 177188047

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylpiperidine-1-carboxamide (CID 176766864) is N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)Nc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)C1.
What is the InChIKey of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylpiperidine-1-carboxamide?
The InChIKey is QKEHOYPNJSVPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-12-3-2-8-23(10-12)20(28)21-14-4-5-15-13(9-14)11-24(19(15)27)16-6-7-17(25)22-18(16)26/h4-5,9,12,16H,2-3,6-8,10-11H2,1H3,(H,21,28)(H,22,25,26).
What are the key properties of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylpiperidine-1-carboxamide?
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylpiperidine-1-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 176766864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).