3-[5-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione

C23H28N4O4 — CID 138695172

IUPAC3-[5-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione
SMILESNCCOCCOCCCc1cccc2c1c1cccnc1n2C1CCC(=O)NC1=O
InChIInChI=1S/C23H28N4O4/c24-10-13-31-15-14-30-12-3-5-16-4-1-7-18-21(16)17-6-2-11-25-22(17)27(18)19-8-9-20(28)26-23(19)29/h1-2,4,6-7,11,19H,3,5,8-10,12-15,24H2,(H,26,28,29)
InChIKeyOMGVNMQAPNGFCJ-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.09
Rot. Bonds10

About 3-[5-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione

3-[5-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione (PubChem CID 138695172) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 3-[5-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione
PubChem CID138695172
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name3-[5-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione
SMILESNCCOCCOCCCc1cccc2c1c1cccnc1n2C1CCC(=O)NC1=O
InChIInChI=1S/C23H28N4O4/c24-10-13-31-15-14-30-12-3-5-16-4-1-7-18-21(16)17-6-2-11-25-22(17)27(18)19-8-9-20(28)26-23(19)29/h1-2,4,6-7,11,19H,3,5,8-10,12-15,24H2,(H,26,28,29)
InChIKeyOMGVNMQAPNGFCJ-UHFFFAOYSA-N
XLogP2.09
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[5-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione with MolForge

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Related Compounds

5-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-5-yl]pentanal
CID 151240446
ethane;3-(5-ethylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 170584325
3-[5-[3-[2-(2-phenylmethoxyethoxy)ethoxy]prop-1-ynyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione;3-[5-[3-(2-propoxyethoxy)propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione
CID 167674228
3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 142616477
3-[4-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione;tert-butyl N-[2-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-4-yl]propoxy]ethoxy]ethyl]carbamate
CID 159936581
ethane;3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 156795243
3-pyrido[2,3-b]indol-9-ylpiperidine-2,6-dione
CID 138728131
tert-butyl N-[2-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-5-yl]prop-2-ynoxy]ethoxy]ethyl]carbamate
CID 138727458
3-[5-[2-[4-[[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]methyl]cyclohexyl]oxyethyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione
CID 155411578
4-[3-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 155292239
3-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)piperidine-2,6-dione
CID 153310470
3-[7-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride
CID 155292375

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione (CID 138695172) is 3-[5-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione is NCCOCCOCCCc1cccc2c1c1cccnc1n2C1CCC(=O)NC1=O.
What is the InChIKey of 3-[5-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione?
The InChIKey is OMGVNMQAPNGFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c24-10-13-31-15-14-30-12-3-5-16-4-1-7-18-21(16)17-6-2-11-25-22(17)27(18)19-8-9-20(28)26-23(19)29/h1-2,4,6-7,11,19H,3,5,8-10,12-15,24H2,(H,26,28,29).
What are the key properties of 3-[5-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione?
3-[5-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione has a molecular weight of 424.50 g/mol, XLogP of 2.09, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione is sourced from PubChem (CID 138695172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).