N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2,6-dimethylpiperidine-1-carboxamide

C20H27N3O4 — CID 108873703

IUPACN-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2,6-dimethylpiperidine-1-carboxamide
SMILESCOCCCN1C(=O)c2ccc(NC(=O)N3C(C)CCCC3C)cc2C1=O
InChIInChI=1S/C20H27N3O4/c1-13-6-4-7-14(2)23(13)20(26)21-15-8-9-16-17(12-15)19(25)22(18(16)24)10-5-11-27-3/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,21,26)
InChIKeyJXBUGRYPGBQDDT-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.11
Rot. Bonds5

About N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2,6-dimethylpiperidine-1-carboxamide

N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2,6-dimethylpiperidine-1-carboxamide (PubChem CID 108873703) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2,6-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2,6-dimethylpiperidine-1-carboxamide
PubChem CID108873703
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC NameN-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2,6-dimethylpiperidine-1-carboxamide
SMILESCOCCCN1C(=O)c2ccc(NC(=O)N3C(C)CCCC3C)cc2C1=O
InChIInChI=1S/C20H27N3O4/c1-13-6-4-7-14(2)23(13)20(26)21-15-8-9-16-17(12-15)19(25)22(18(16)24)10-5-11-27-3/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,21,26)
InChIKeyJXBUGRYPGBQDDT-UHFFFAOYSA-N
XLogP3.11
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]pyrrolidine-1-carboxamide
CID 108873670
N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]azepane-1-carboxamide
CID 108873671
2,6-dimethyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperidine-1-carboxamide
CID 108872588
1-N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]piperidine-1,4-dicarboxamide
CID 108873799
N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108873784
N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108873569
2-[[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]carbamoylamino]propanoic acid
CID 108873596
1-(2-methoxyphenyl)-3-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108873532
1-(2,2-diethoxyethyl)-3-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108873877
1-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108873546
1-[2-(4-hydroxyphenyl)ethyl]-3-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108873554
1-(2-cyanophenyl)-3-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108873547

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2,6-dimethylpiperidine-1-carboxamide?
The IUPAC name of N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2,6-dimethylpiperidine-1-carboxamide (CID 108873703) is N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2,6-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2,6-dimethylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2,6-dimethylpiperidine-1-carboxamide is COCCCN1C(=O)c2ccc(NC(=O)N3C(C)CCCC3C)cc2C1=O.
What is the InChIKey of N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2,6-dimethylpiperidine-1-carboxamide?
The InChIKey is JXBUGRYPGBQDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-13-6-4-7-14(2)23(13)20(26)21-15-8-9-16-17(12-15)19(25)22(18(16)24)10-5-11-27-3/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,21,26).
What are the key properties of N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2,6-dimethylpiperidine-1-carboxamide?
N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2,6-dimethylpiperidine-1-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2,6-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 108873703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).