5-(5-aminopentylamino)-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide

C18H24N4O4 — CID 162486117

IUPAC5-(5-aminopentylamino)-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide
SMILESNCCCCCNc1ccc(C=O)c(C(=O)NC2CCC(=O)NC2=O)c1
InChIInChI=1S/C18H24N4O4/c19-8-2-1-3-9-20-13-5-4-12(11-23)14(10-13)17(25)21-15-6-7-16(24)22-18(15)26/h4-5,10-11,15,20H,1-3,6-9,19H2,(H,21,25)(H,22,24,26)
InChIKeyRAQZOGHDJZJEMG-UHFFFAOYSA-N
MW360.41 g/mol
LogP0.57
Rot. Bonds9

About 5-(5-aminopentylamino)-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide

5-(5-aminopentylamino)-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide (PubChem CID 162486117) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 5-(5-aminopentylamino)-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide.

Molecular Properties

Compound Name5-(5-aminopentylamino)-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide
PubChem CID162486117
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name5-(5-aminopentylamino)-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide
SMILESNCCCCCNc1ccc(C=O)c(C(=O)NC2CCC(=O)NC2=O)c1
InChIInChI=1S/C18H24N4O4/c19-8-2-1-3-9-20-13-5-4-12(11-23)14(10-13)17(25)21-15-6-7-16(24)22-18(15)26/h4-5,10-11,15,20H,1-3,6-9,19H2,(H,21,25)(H,22,24,26)
InChIKeyRAQZOGHDJZJEMG-UHFFFAOYSA-N
XLogP0.57
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide
CID 162486100
N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formylbenzamide
CID 134581835
N-(2,6-dioxopiperidin-3-yl)-2-formyl-5-[4-(hydroxymethyl)piperidin-1-yl]benzamide
CID 178155469
3-[2-(4-aminobutylamino)-2-oxoethoxy]-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide
CID 121448796
9-[3-formyl-4-[1-[methyl-(2-methylidene-6-oxopiperidin-3-yl)amino]ethenyl]anilino]nonanoic acid
CID 163374061
5-(14-aminotetradecylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 169450048
5-(5-aminopentylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 138562610
5-(9-aminononylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 162482502
2-[3-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-4-formylanilino]acetic acid
CID 163559845
[4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]azanium
CID 155583990
5-(16-bromohexadecylamino)-2-formyl-N-hydroxybenzamide
CID 20554712
4-[[4-(4-aminopiperidin-1-yl)-4-oxobutyl]amino]-N-(2,6-dioxopiperidin-3-yl)benzamide
CID 167463149

Frequently Asked Questions

What is the IUPAC name of 5-(5-aminopentylamino)-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide?
The IUPAC name of 5-(5-aminopentylamino)-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide (CID 162486117) is 5-(5-aminopentylamino)-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide.
What is the SMILES notation for 5-(5-aminopentylamino)-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide?
The canonical SMILES for 5-(5-aminopentylamino)-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide is NCCCCCNc1ccc(C=O)c(C(=O)NC2CCC(=O)NC2=O)c1.
What is the InChIKey of 5-(5-aminopentylamino)-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide?
The InChIKey is RAQZOGHDJZJEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c19-8-2-1-3-9-20-13-5-4-12(11-23)14(10-13)17(25)21-15-6-7-16(24)22-18(15)26/h4-5,10-11,15,20H,1-3,6-9,19H2,(H,21,25)(H,22,24,26).
What are the key properties of 5-(5-aminopentylamino)-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide?
5-(5-aminopentylamino)-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide has a molecular weight of 360.41 g/mol, XLogP of 0.57, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-aminopentylamino)-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide is sourced from PubChem (CID 162486117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).