N-(3-aminopropyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride

C17H19ClN4O5 — CID 166000888

IUPACN-(3-aminopropyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride
SMILESCl.NCCCNC(=O)c1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C17H18N4O5.ClH/c18-6-1-7-19-14(23)9-2-3-10-11(8-9)17(26)21(16(10)25)12-4-5-13(22)20-15(12)24;/h2-3,8,12H,1,4-7,18H2,(H,19,23)(H,20,22,24);1H
InChIKeyWPBHPSJMNISFQD-UHFFFAOYSA-N
MW394.82 g/mol
LogP-0.41
Rot. Bonds5

About N-(3-aminopropyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride

N-(3-aminopropyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride (PubChem CID 166000888) has the molecular formula C17H19ClN4O5 and a molecular weight of 394.82 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride
PubChem CID166000888
Molecular FormulaC17H19ClN4O5
Molecular Weight394.82 g/mol
Exact Mass394.10
IUPAC NameN-(3-aminopropyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride
SMILESCl.NCCCNC(=O)c1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C17H18N4O5.ClH/c18-6-1-7-19-14(23)9-2-3-10-11(8-9)17(26)21(16(10)25)12-4-5-13(22)20-15(12)24;/h2-3,8,12H,1,4-7,18H2,(H,19,23)(H,20,22,24);1H
InChIKeyWPBHPSJMNISFQD-UHFFFAOYSA-N
XLogP-0.41
TPSA138.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.82
LogP ≤ 5-0.41
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'}

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-N-(2-methylprop-2-enyl)-1,3-dioxoisoindole-5-carboxamide
CID 166426897
5-(3-aminopropylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 150134441
2-(2,6-dioxopiperidin-3-yl)-N-[(1-ethylcyclopentyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 166426918
N-(10-aminodecyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide
CID 171554713
N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide
CID 172937040
N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-pyrrol-1-ylbenzamide
CID 166425463
5-(5-aminopentylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 138562610
5-(14-aminotetradecylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 169450048
5-(9-aminononylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 162482502
5-(4-aminobutyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 163540718
4-acetyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide
CID 71122531
4-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide
CID 24788307

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride (CID 166000888) is N-(3-aminopropyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride is Cl.NCCCNC(=O)c1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of N-(3-aminopropyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
The InChIKey is WPBHPSJMNISFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O5.ClH/c18-6-1-7-19-14(23)9-2-3-10-11(8-9)17(26)21(16(10)25)12-4-5-13(22)20-15(12)24;/h2-3,8,12H,1,4-7,18H2,(H,19,23)(H,20,22,24);1H.
What are the key properties of N-(3-aminopropyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
N-(3-aminopropyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride has a molecular weight of 394.82 g/mol, XLogP of -0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride is sourced from PubChem (CID 166000888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).