1-[4-[5-[4-(2,5-dioxopyrrol-1-yl)butyl]-6-oxopiperazin-2-yl]butyl]pyrrole-2,5-dione

C20H26N4O5 — CID 141399564

IUPAC1-[4-[5-[4-(2,5-dioxopyrrol-1-yl)butyl]-6-oxopiperazin-2-yl]butyl]pyrrole-2,5-dione
SMILESO=C1NC(CCCCN2C(=O)C=CC2=O)CNC1CCCCN1C(=O)C=CC1=O
InChIInChI=1S/C20H26N4O5/c25-16-7-8-17(26)23(16)11-3-1-5-14-13-21-15(20(29)22-14)6-2-4-12-24-18(27)9-10-19(24)28/h7-10,14-15,21H,1-6,11-13H2,(H,22,29)
InChIKeyDAAJWHCGPADIJG-UHFFFAOYSA-N
MW402.45 g/mol
LogP-0.37
Rot. Bonds10

About 1-[4-[5-[4-(2,5-dioxopyrrol-1-yl)butyl]-6-oxopiperazin-2-yl]butyl]pyrrole-2,5-dione

1-[4-[5-[4-(2,5-dioxopyrrol-1-yl)butyl]-6-oxopiperazin-2-yl]butyl]pyrrole-2,5-dione (PubChem CID 141399564) has the molecular formula C20H26N4O5 and a molecular weight of 402.45 g/mol. Its IUPAC name is 1-[4-[5-[4-(2,5-dioxopyrrol-1-yl)butyl]-6-oxopiperazin-2-yl]butyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-[5-[4-(2,5-dioxopyrrol-1-yl)butyl]-6-oxopiperazin-2-yl]butyl]pyrrole-2,5-dione
PubChem CID141399564
Molecular FormulaC20H26N4O5
Molecular Weight402.45 g/mol
Exact Mass402.19
IUPAC Name1-[4-[5-[4-(2,5-dioxopyrrol-1-yl)butyl]-6-oxopiperazin-2-yl]butyl]pyrrole-2,5-dione
SMILESO=C1NC(CCCCN2C(=O)C=CC2=O)CNC1CCCCN1C(=O)C=CC1=O
InChIInChI=1S/C20H26N4O5/c25-16-7-8-17(26)23(16)11-3-1-5-14-13-21-15(20(29)22-14)6-2-4-12-24-18(27)9-10-19(24)28/h7-10,14-15,21H,1-6,11-13H2,(H,22,29)
InChIKeyDAAJWHCGPADIJG-UHFFFAOYSA-N
XLogP-0.37
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 5-0.37
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-(5,6-Diamino-6-oxohexyl)-2,5-dihydro-2,5-dioxo-1H-pyrrole-1-propanamide, (S)-
CID 57832067
3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)piperidine-2,6-dione
CID 65969289
2,5-dihydropyrrol-1-yl-[(2S)-piperidin-2-yl]methanone
CID 15020430
2-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)octyl]acetamide
CID 20778308
2,6-bis(tert-butylamino)-N-[3-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]propyl]hexanamide
CID 21042087
6-[3-(2,5-Dioxopyrrol-1-yl)propanoylamino]-2-(2-oxopropylamino)hexanamide
CID 21299471
6-[3-(2,5-Dioxopyrrol-1-yl)propanoylamino]-2-(methylamino)hexanamide
CID 21299504
2-(Aminomethylamino)-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanamide
CID 23547207
2-Amino-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanamide
CID 23558128
Bis-Maleimide amine
CID 51340937
N-[(5S)-5-amino-6-[(2S)-2-cyanopyrrolidin-1-yl]-6-oxohexyl]-4-(2,5-dioxopyrrol-1-yl)butanamide
CID 57783639
2,6-diacetamido-N-[1,7-bis(2,5-dioxopyrrol-1-yl)heptan-4-yl]hexanamide
CID 57910274

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[4-(2,5-dioxopyrrol-1-yl)butyl]-6-oxopiperazin-2-yl]butyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-[5-[4-(2,5-dioxopyrrol-1-yl)butyl]-6-oxopiperazin-2-yl]butyl]pyrrole-2,5-dione (CID 141399564) is 1-[4-[5-[4-(2,5-dioxopyrrol-1-yl)butyl]-6-oxopiperazin-2-yl]butyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-[5-[4-(2,5-dioxopyrrol-1-yl)butyl]-6-oxopiperazin-2-yl]butyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-[5-[4-(2,5-dioxopyrrol-1-yl)butyl]-6-oxopiperazin-2-yl]butyl]pyrrole-2,5-dione is O=C1NC(CCCCN2C(=O)C=CC2=O)CNC1CCCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[4-[5-[4-(2,5-dioxopyrrol-1-yl)butyl]-6-oxopiperazin-2-yl]butyl]pyrrole-2,5-dione?
The InChIKey is DAAJWHCGPADIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5/c25-16-7-8-17(26)23(16)11-3-1-5-14-13-21-15(20(29)22-14)6-2-4-12-24-18(27)9-10-19(24)28/h7-10,14-15,21H,1-6,11-13H2,(H,22,29).
What are the key properties of 1-[4-[5-[4-(2,5-dioxopyrrol-1-yl)butyl]-6-oxopiperazin-2-yl]butyl]pyrrole-2,5-dione?
1-[4-[5-[4-(2,5-dioxopyrrol-1-yl)butyl]-6-oxopiperazin-2-yl]butyl]pyrrole-2,5-dione has a molecular weight of 402.45 g/mol, XLogP of -0.37, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[4-(2,5-dioxopyrrol-1-yl)butyl]-6-oxopiperazin-2-yl]butyl]pyrrole-2,5-dione is sourced from PubChem (CID 141399564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).