3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-N-methyl-1H-indole-7-carboxamide

C24H24N4O5 — CID 507967

IUPAC3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-N-methyl-1H-indole-7-carboxamide
SMILESCNC(=O)c1ccc(OC)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12
InChIInChI=1S/C24H24N4O5/c1-25-22(30)16-8-9-18(33-2)19-17(14-26-20(16)19)21(29)24(32)28-12-10-27(11-13-28)23(31)15-6-4-3-5-7-15/h3-9,14,26H,10-13H2,1-2H3,(H,25,30)
InChIKeyKWOGGQAJEKZGQX-UHFFFAOYSA-N
MW448.48 g/mol
LogP1.70
Rot. Bonds5

About 3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-N-methyl-1H-indole-7-carboxamide

3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-N-methyl-1H-indole-7-carboxamide (PubChem CID 507967) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is 3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-N-methyl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-N-methyl-1H-indole-7-carboxamide
PubChem CID507967
Molecular FormulaC24H24N4O5
Molecular Weight448.48 g/mol
Exact Mass448.17
IUPAC Name3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-N-methyl-1H-indole-7-carboxamide
SMILESCNC(=O)c1ccc(OC)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12
InChIInChI=1S/C24H24N4O5/c1-25-22(30)16-8-9-18(33-2)19-17(14-26-20(16)19)21(29)24(32)28-12-10-27(11-13-28)23(31)15-6-4-3-5-7-15/h3-9,14,26H,10-13H2,1-2H3,(H,25,30)
InChIKeyKWOGGQAJEKZGQX-UHFFFAOYSA-N
XLogP1.70
TPSA111.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-N-methyl-1H-indole-7-carboxamide?
The IUPAC name of 3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-N-methyl-1H-indole-7-carboxamide (CID 507967) is 3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-N-methyl-1H-indole-7-carboxamide.
What is the SMILES notation for 3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-N-methyl-1H-indole-7-carboxamide?
The canonical SMILES for 3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-N-methyl-1H-indole-7-carboxamide is CNC(=O)c1ccc(OC)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12.
What is the InChIKey of 3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-N-methyl-1H-indole-7-carboxamide?
The InChIKey is KWOGGQAJEKZGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5/c1-25-22(30)16-8-9-18(33-2)19-17(14-26-20(16)19)21(29)24(32)28-12-10-27(11-13-28)23(31)15-6-4-3-5-7-15/h3-9,14,26H,10-13H2,1-2H3,(H,25,30).
What are the key properties of 3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-N-methyl-1H-indole-7-carboxamide?
3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-N-methyl-1H-indole-7-carboxamide has a molecular weight of 448.48 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-N-methyl-1H-indole-7-carboxamide is sourced from PubChem (CID 507967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).