2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-1H-indole-5-carboxamide

C22H24N4O3 — CID 71116278

IUPAC2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-1H-indole-5-carboxamide
SMILESCNC(=O)c1ccc2[nH]c(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2c1
InChIInChI=1S/C22H24N4O3/c1-23-21(27)15-3-8-19-16(13-15)14-20(24-19)22(28)26-11-9-25(10-12-26)17-4-6-18(29-2)7-5-17/h3-8,13-14,24H,9-12H2,1-2H3,(H,23,27)
InChIKeyABPCHYCHOQKJJE-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.50
Rot. Bonds4

About 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-1H-indole-5-carboxamide

2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-1H-indole-5-carboxamide (PubChem CID 71116278) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-1H-indole-5-carboxamide
PubChem CID71116278
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-1H-indole-5-carboxamide
SMILESCNC(=O)c1ccc2[nH]c(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2c1
InChIInChI=1S/C22H24N4O3/c1-23-21(27)15-3-8-19-16(13-15)14-20(24-19)22(28)26-11-9-25(10-12-26)17-4-6-18(29-2)7-5-17/h3-8,13-14,24H,9-12H2,1-2H3,(H,23,27)
InChIKeyABPCHYCHOQKJJE-UHFFFAOYSA-N
XLogP2.50
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4909282
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
CID 113207332
(3,4-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013211
(3,5-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013228
1-[2-[4-(3-fluoro-4-methoxyphenyl)piperazine-1-carbonyl]-1H-indol-5-yl]ethanone
CID 71116283
4-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide
CID 86969119
(5-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 3403714
2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyridin-4-one
CID 110856456
4-[4-[6-(trifluoromethoxy)-1H-indole-2-carbonyl]piperazin-1-yl]benzamide
CID 86969214
[4-(4-methoxyphenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 51211150
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043150
[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 33367407

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-1H-indole-5-carboxamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-1H-indole-5-carboxamide (CID 71116278) is 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-1H-indole-5-carboxamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-1H-indole-5-carboxamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-1H-indole-5-carboxamide is CNC(=O)c1ccc2[nH]c(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2c1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-1H-indole-5-carboxamide?
The InChIKey is ABPCHYCHOQKJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-23-21(27)15-3-8-19-16(13-15)14-20(24-19)22(28)26-11-9-25(10-12-26)17-4-6-18(29-2)7-5-17/h3-8,13-14,24H,9-12H2,1-2H3,(H,23,27).
What are the key properties of 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-1H-indole-5-carboxamide?
2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-1H-indole-5-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-1H-indole-5-carboxamide is sourced from PubChem (CID 71116278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).