1-N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]piperidine-1,4-dicarboxamide

C19H24N4O5 — CID 108873799

IUPAC1-N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]piperidine-1,4-dicarboxamide
SMILESCOCCCN1C(=O)c2ccc(NC(=O)N3CCC(C(N)=O)CC3)cc2C1=O
InChIInChI=1S/C19H24N4O5/c1-28-10-2-7-23-17(25)14-4-3-13(11-15(14)18(23)26)21-19(27)22-8-5-12(6-9-22)16(20)24/h3-4,11-12H,2,5-10H2,1H3,(H2,20,24)(H,21,27)
InChIKeyKHIXKDLVPLZYSR-UHFFFAOYSA-N
MW388.42 g/mol
LogP1.05
Rot. Bonds6

About 1-N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]piperidine-1,4-dicarboxamide

1-N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]piperidine-1,4-dicarboxamide (PubChem CID 108873799) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is 1-N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]piperidine-1,4-dicarboxamide
PubChem CID108873799
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Name1-N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]piperidine-1,4-dicarboxamide
SMILESCOCCCN1C(=O)c2ccc(NC(=O)N3CCC(C(N)=O)CC3)cc2C1=O
InChIInChI=1S/C19H24N4O5/c1-28-10-2-7-23-17(25)14-4-3-13(11-15(14)18(23)26)21-19(27)22-8-5-12(6-9-22)16(20)24/h3-4,11-12H,2,5-10H2,1H3,(H2,20,24)(H,21,27)
InChIKeyKHIXKDLVPLZYSR-UHFFFAOYSA-N
XLogP1.05
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]piperidine-1,4-dicarboxamide 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-(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
N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2,6-dimethylpiperidine-1-carboxamide
CID 108873703
N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108873569
N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108873784
2-[[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]carbamoylamino]propanoic acid
CID 108873596
2-(1,3-dioxoisoindol-2-yl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836697
1-(2-methoxyphenyl)-3-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108873532
N-(3-aminopropyl)-N-[[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]carbamoyl]formamide
CID 108873742
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-(4-aminophenyl)-3-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-1-phenylurea
CID 108873707

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]piperidine-1,4-dicarboxamide (CID 108873799) is 1-N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]piperidine-1,4-dicarboxamide is COCCCN1C(=O)c2ccc(NC(=O)N3CCC(C(N)=O)CC3)cc2C1=O.
What is the InChIKey of 1-N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]piperidine-1,4-dicarboxamide?
The InChIKey is KHIXKDLVPLZYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-28-10-2-7-23-17(25)14-4-3-13(11-15(14)18(23)26)21-19(27)22-8-5-12(6-9-22)16(20)24/h3-4,11-12H,2,5-10H2,1H3,(H2,20,24)(H,21,27).
What are the key properties of 1-N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]piperidine-1,4-dicarboxamide?
1-N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]piperidine-1,4-dicarboxamide has a molecular weight of 388.42 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 108873799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).