2,6-dimethyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperidine-1-carboxamide

C20H27N3O3 — CID 108872588

IUPAC2,6-dimethyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperidine-1-carboxamide
SMILESCC(C)CN1C(=O)c2ccc(NC(=O)N3C(C)CCCC3C)cc2C1=O
InChIInChI=1S/C20H27N3O3/c1-12(2)11-22-18(24)16-9-8-15(10-17(16)19(22)25)21-20(26)23-13(3)6-5-7-14(23)4/h8-10,12-14H,5-7,11H2,1-4H3,(H,21,26)
InChIKeyRMGANFLODFLHTQ-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.73
Rot. Bonds3

About 2,6-dimethyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperidine-1-carboxamide

2,6-dimethyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperidine-1-carboxamide (PubChem CID 108872588) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2,6-dimethyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperidine-1-carboxamide
PubChem CID108872588
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name2,6-dimethyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperidine-1-carboxamide
SMILESCC(C)CN1C(=O)c2ccc(NC(=O)N3C(C)CCCC3C)cc2C1=O
InChIInChI=1S/C20H27N3O3/c1-12(2)11-22-18(24)16-9-8-15(10-17(16)19(22)25)21-20(26)23-13(3)6-5-7-14(23)4/h8-10,12-14H,5-7,11H2,1-4H3,(H,21,26)
InChIKeyRMGANFLODFLHTQ-UHFFFAOYSA-N
XLogP3.73
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2,6-dimethylpiperidine-1-carboxamide
CID 108873703
2-methyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-2,3-dihydroindole-1-carboxamide
CID 108872669
1-(4-bromophenyl)-3-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108872403
N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 17362321
1-(3-methylbutyl)-3-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108872701
1-tert-butyl-1-ethyl-3-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108872665
1,1-bis(2-hydroxyethyl)-3-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108872480
4-[[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]carbamoylamino]benzamide
CID 108872649
1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108872608
4-(3-methylphenyl)-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperazine-1-carboxamide
CID 108872673
2-fluoro-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide
CID 2232250
1-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-3-(1-phenylethyl)urea
CID 108872468

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperidine-1-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperidine-1-carboxamide (CID 108872588) is 2,6-dimethyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperidine-1-carboxamide is CC(C)CN1C(=O)c2ccc(NC(=O)N3C(C)CCCC3C)cc2C1=O.
What is the InChIKey of 2,6-dimethyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperidine-1-carboxamide?
The InChIKey is RMGANFLODFLHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-12(2)11-22-18(24)16-9-8-15(10-17(16)19(22)25)21-20(26)23-13(3)6-5-7-14(23)4/h8-10,12-14H,5-7,11H2,1-4H3,(H,21,26).
What are the key properties of 2,6-dimethyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperidine-1-carboxamide?
2,6-dimethyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperidine-1-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 108872588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).