3-[7-[4-aminobutyl(3-aminopropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C20H29N5O3 — CID 170701920

IUPAC3-[7-[4-aminobutyl(3-aminopropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESNCCCCN(CCCN)c1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C20H29N5O3/c21-9-1-2-11-24(12-4-10-22)16-6-3-5-14-15(16)13-25(20(14)28)17-7-8-18(26)23-19(17)27/h3,5-6,17H,1-2,4,7-13,21-22H2,(H,23,26,27)
InChIKeyRTPCDFNUEAUANM-UHFFFAOYSA-N
MW387.48 g/mol
LogP0.34
Rot. Bonds9

About 3-[7-[4-aminobutyl(3-aminopropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[7-[4-aminobutyl(3-aminopropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 170701920) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3-[7-[4-aminobutyl(3-aminopropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[7-[4-aminobutyl(3-aminopropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID170701920
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC Name3-[7-[4-aminobutyl(3-aminopropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESNCCCCN(CCCN)c1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C20H29N5O3/c21-9-1-2-11-24(12-4-10-22)16-6-3-5-14-15(16)13-25(20(14)28)17-7-8-18(26)23-19(17)27/h3,5-6,17H,1-2,4,7-13,21-22H2,(H,23,26,27)
InChIKeyRTPCDFNUEAUANM-UHFFFAOYSA-N
XLogP0.34
TPSA121.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[7-[4-aminobutyl(3-aminopropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 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

3-[7-[4-aminobutyl(3-aminopropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride
CID 170701919
N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-propylamino]butyl]acetamide
CID 170702070
3-[7-(7-aminoheptylsulfonyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 150329418
3-[7-[[3-(aminomethyl)-4,4,4-trifluorobutyl]-(2-cyclopropylethyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170702195
3-[7-[[4-(aminomethyl)cyclohexyl]-pentylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175995384
3-[7-[3-(6-aminohexoxy)propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156735812
3-[7-(7-aminoheptylsulfinyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 150367002
3-[7-[[(1R,3R)-3-(aminomethyl)cyclopentyl]-pentylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170701967
(3S)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 12044976
N'-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N'-hydroxyoctanediamide
CID 171591892
3-[7-[(5-aminopentan-2-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167722576
[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-(5-phenylpentyl)carbamic acid
CID 141341746

Frequently Asked Questions

What is the IUPAC name of 3-[7-[4-aminobutyl(3-aminopropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[7-[4-aminobutyl(3-aminopropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 170701920) is 3-[7-[4-aminobutyl(3-aminopropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[7-[4-aminobutyl(3-aminopropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[7-[4-aminobutyl(3-aminopropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is NCCCCN(CCCN)c1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-[7-[4-aminobutyl(3-aminopropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is RTPCDFNUEAUANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3/c21-9-1-2-11-24(12-4-10-22)16-6-3-5-14-15(16)13-25(20(14)28)17-7-8-18(26)23-19(17)27/h3,5-6,17H,1-2,4,7-13,21-22H2,(H,23,26,27).
What are the key properties of 3-[7-[4-aminobutyl(3-aminopropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[7-[4-aminobutyl(3-aminopropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 387.48 g/mol, XLogP of 0.34, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[4-aminobutyl(3-aminopropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 170701920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).