N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-pyrrol-1-ylbenzamide

C27H24N4O5 — CID 166425463

IUPACN-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-pyrrol-1-ylbenzamide
SMILESO=C1CCC(N2C(=O)c3ccc(CCCNC(=O)c4cccc(-n5cccc5)c4)cc3C2=O)C(=O)N1
InChIInChI=1S/C27H24N4O5/c32-23-11-10-22(25(34)29-23)31-26(35)20-9-8-17(15-21(20)27(31)36)5-4-12-28-24(33)18-6-3-7-19(16-18)30-13-1-2-14-30/h1-3,6-9,13-16,22H,4-5,10-12H2,(H,28,33)(H,29,32,34)
InChIKeySUZREHRKMVPXEH-UHFFFAOYSA-N
MW484.51 g/mol
LogP2.24
Rot. Bonds7

About N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-pyrrol-1-ylbenzamide

N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-pyrrol-1-ylbenzamide (PubChem CID 166425463) has the molecular formula C27H24N4O5 and a molecular weight of 484.51 g/mol. Its IUPAC name is N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-pyrrol-1-ylbenzamide
PubChem CID166425463
Molecular FormulaC27H24N4O5
Molecular Weight484.51 g/mol
Exact Mass484.17
IUPAC NameN-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-pyrrol-1-ylbenzamide
SMILESO=C1CCC(N2C(=O)c3ccc(CCCNC(=O)c4cccc(-n5cccc5)c4)cc3C2=O)C(=O)N1
InChIInChI=1S/C27H24N4O5/c32-23-11-10-22(25(34)29-23)31-26(35)20-9-8-17(15-21(20)27(31)36)5-4-12-28-24(33)18-6-3-7-19(16-18)30-13-1-2-14-30/h1-3,6-9,13-16,22H,4-5,10-12H2,(H,28,33)(H,29,32,34)
InChIKeySUZREHRKMVPXEH-UHFFFAOYSA-N
XLogP2.24
TPSA117.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 52.24
H-Bond Donors ≤ 52
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

N-(3-aminopropyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 166000888
N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-4-methylpiperazine-1-carboxamide
CID 167810312
3-amino-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-1-methylpyrazole-4-carboxamide
CID 166425489
N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-2,2-dimethylbut-3-ynamide
CID 166425439
N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-N'-(3-ethynylphenyl)oxamide
CID 166427269
(2R,6S)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-2,6-dimethylmorpholine-4-carboxamide
CID 166425521
5-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 157474778
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
3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]propanoic acid
CID 146485046
2-(2,6-dioxopiperidin-3-yl)-N-(2-methylprop-2-enyl)-1,3-dioxoisoindole-5-carboxamide
CID 166426897
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-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-pyrrol-1-ylbenzamide (CID 166425463) is N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-pyrrol-1-ylbenzamide is O=C1CCC(N2C(=O)c3ccc(CCCNC(=O)c4cccc(-n5cccc5)c4)cc3C2=O)C(=O)N1.
What is the InChIKey of N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-pyrrol-1-ylbenzamide?
The InChIKey is SUZREHRKMVPXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O5/c32-23-11-10-22(25(34)29-23)31-26(35)20-9-8-17(15-21(20)27(31)36)5-4-12-28-24(33)18-6-3-7-19(16-18)30-13-1-2-14-30/h1-3,6-9,13-16,22H,4-5,10-12H2,(H,28,33)(H,29,32,34).
What are the key properties of N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-pyrrol-1-ylbenzamide?
N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-pyrrol-1-ylbenzamide has a molecular weight of 484.51 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 166425463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).