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

C23H22N4O5 — CID 507980

IUPAC3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-indole-7-carboxamide
SMILESCOc1ccc(C(N)=O)c2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12
InChIInChI=1S/C23H22N4O5/c1-32-17-8-7-15(21(24)29)19-18(17)16(13-25-19)20(28)23(31)27-11-9-26(10-12-27)22(30)14-5-3-2-4-6-14/h2-8,13,25H,9-12H2,1H3,(H2,24,29)
InChIKeyFYGWSVUBVYVMQJ-UHFFFAOYSA-N
MW434.45 g/mol
LogP1.44
Rot. Bonds5

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

3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-indole-7-carboxamide (PubChem CID 507980) has the molecular formula C23H22N4O5 and a molecular weight of 434.45 g/mol. Its IUPAC name is 3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-indole-7-carboxamide
PubChem CID507980
Molecular FormulaC23H22N4O5
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC Name3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-indole-7-carboxamide
SMILESCOc1ccc(C(N)=O)c2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12
InChIInChI=1S/C23H22N4O5/c1-32-17-8-7-15(21(24)29)19-18(17)16(13-25-19)20(28)23(31)27-11-9-26(10-12-27)22(30)14-5-3-2-4-6-14/h2-8,13,25H,9-12H2,1H3,(H2,24,29)
InChIKeyFYGWSVUBVYVMQJ-UHFFFAOYSA-N
XLogP1.44
TPSA125.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 51.44
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-1H-indole-7-carboxamide?
The IUPAC name of 3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-indole-7-carboxamide (CID 507980) is 3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-indole-7-carboxamide.
What is the SMILES notation for 3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-indole-7-carboxamide?
The canonical SMILES for 3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-indole-7-carboxamide is COc1ccc(C(N)=O)c2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12.
What is the InChIKey of 3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-indole-7-carboxamide?
The InChIKey is FYGWSVUBVYVMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5/c1-32-17-8-7-15(21(24)29)19-18(17)16(13-25-19)20(28)23(31)27-11-9-26(10-12-27)22(30)14-5-3-2-4-6-14/h2-8,13,25H,9-12H2,1H3,(H2,24,29).
What are the key properties of 3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-indole-7-carboxamide?
3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-indole-7-carboxamide has a molecular weight of 434.45 g/mol, XLogP of 1.44, 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-1H-indole-7-carboxamide is sourced from PubChem (CID 507980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).