6-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[4-(2-oxo-2-piperazin-1-ylacetyl)piperazin-1-yl]ethyl]amino]ethyl]hexanamide

C24H35N7O7 — CID 58734946

IUPAC6-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[4-(2-oxo-2-piperazin-1-ylacetyl)piperazin-1-yl]ethyl]amino]ethyl]hexanamide
SMILESO=C(CCCCCN1C(=O)C=CC1=O)NCC(=O)NCC(=O)N1CCN(C(=O)C(=O)N2CCNCC2)CC1
InChIInChI=1S/C24H35N7O7/c32-18(4-2-1-3-9-31-20(34)5-6-21(31)35)26-16-19(33)27-17-22(36)28-12-14-30(15-13-28)24(38)23(37)29-10-7-25-8-11-29/h5-6,25H,1-4,7-17H2,(H,26,32)(H,27,33)
InChIKeySUZQBZBTFGVMTB-UHFFFAOYSA-N
MW533.59 g/mol
LogP-3.19
Rot. Bonds10

About 6-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[4-(2-oxo-2-piperazin-1-ylacetyl)piperazin-1-yl]ethyl]amino]ethyl]hexanamide

6-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[4-(2-oxo-2-piperazin-1-ylacetyl)piperazin-1-yl]ethyl]amino]ethyl]hexanamide (PubChem CID 58734946) has the molecular formula C24H35N7O7 and a molecular weight of 533.59 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[4-(2-oxo-2-piperazin-1-ylacetyl)piperazin-1-yl]ethyl]amino]ethyl]hexanamide.

Molecular Properties

Compound Name6-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[4-(2-oxo-2-piperazin-1-ylacetyl)piperazin-1-yl]ethyl]amino]ethyl]hexanamide
PubChem CID58734946
Molecular FormulaC24H35N7O7
Molecular Weight533.59 g/mol
Exact Mass533.26
IUPAC Name6-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[4-(2-oxo-2-piperazin-1-ylacetyl)piperazin-1-yl]ethyl]amino]ethyl]hexanamide
SMILESO=C(CCCCCN1C(=O)C=CC1=O)NCC(=O)NCC(=O)N1CCN(C(=O)C(=O)N2CCNCC2)CC1
InChIInChI=1S/C24H35N7O7/c32-18(4-2-1-3-9-31-20(34)5-6-21(31)35)26-16-19(33)27-17-22(36)28-12-14-30(15-13-28)24(38)23(37)29-10-7-25-8-11-29/h5-6,25H,1-4,7-17H2,(H,26,32)(H,27,33)
InChIKeySUZQBZBTFGVMTB-UHFFFAOYSA-N
XLogP-3.19
TPSA168.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.59
LogP ≤ 5-3.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[4-(2-oxo-2-piperazin-1-ylacetyl)piperazin-1-yl]ethyl]amino]ethyl]hexanamide?
The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[4-(2-oxo-2-piperazin-1-ylacetyl)piperazin-1-yl]ethyl]amino]ethyl]hexanamide (CID 58734946) is 6-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[4-(2-oxo-2-piperazin-1-ylacetyl)piperazin-1-yl]ethyl]amino]ethyl]hexanamide.
What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[4-(2-oxo-2-piperazin-1-ylacetyl)piperazin-1-yl]ethyl]amino]ethyl]hexanamide?
The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[4-(2-oxo-2-piperazin-1-ylacetyl)piperazin-1-yl]ethyl]amino]ethyl]hexanamide is O=C(CCCCCN1C(=O)C=CC1=O)NCC(=O)NCC(=O)N1CCN(C(=O)C(=O)N2CCNCC2)CC1.
What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[4-(2-oxo-2-piperazin-1-ylacetyl)piperazin-1-yl]ethyl]amino]ethyl]hexanamide?
The InChIKey is SUZQBZBTFGVMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N7O7/c32-18(4-2-1-3-9-31-20(34)5-6-21(31)35)26-16-19(33)27-17-22(36)28-12-14-30(15-13-28)24(38)23(37)29-10-7-25-8-11-29/h5-6,25H,1-4,7-17H2,(H,26,32)(H,27,33).
What are the key properties of 6-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[4-(2-oxo-2-piperazin-1-ylacetyl)piperazin-1-yl]ethyl]amino]ethyl]hexanamide?
6-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[4-(2-oxo-2-piperazin-1-ylacetyl)piperazin-1-yl]ethyl]amino]ethyl]hexanamide has a molecular weight of 533.59 g/mol, XLogP of -3.19, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[4-(2-oxo-2-piperazin-1-ylacetyl)piperazin-1-yl]ethyl]amino]ethyl]hexanamide is sourced from PubChem (CID 58734946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).