2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide

C23H24N4O4 — CID 29129307

IUPAC2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
SMILESCOc1ccc(CNC(=O)C(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C23H24N4O4/c1-31-18-8-6-16(7-9-18)15-24-21(28)23(30)27-12-10-26(11-13-27)22(29)20-14-17-4-2-3-5-19(17)25-20/h2-9,14,25H,10-13,15H2,1H3,(H,24,28)
InChIKeyVUFRSSNGBQBAQU-UHFFFAOYSA-N
MW420.47 g/mol
LogP1.78
Rot. Bonds4

About 2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide

2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide (PubChem CID 29129307) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
PubChem CID29129307
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
SMILESCOc1ccc(CNC(=O)C(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C23H24N4O4/c1-31-18-8-6-16(7-9-18)15-24-21(28)23(30)27-12-10-26(11-13-27)22(29)20-14-17-4-2-3-5-19(17)25-20/h2-9,14,25H,10-13,15H2,1H3,(H,24,28)
InChIKeyVUFRSSNGBQBAQU-UHFFFAOYSA-N
XLogP1.78
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-oxoacetamide
CID 71946896
2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxo-N-(2-phenylethyl)acetamide
CID 29134828
1-(1H-indole-2-carbonyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 42467254
N-[2-(4-hydroxyphenyl)ethyl]-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 71946894
2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methylbutyl)-2-oxoacetamide
CID 29130725
N-tert-butyl-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 155255167
N-[(4-ethoxyphenyl)methyl]-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 50816968
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 108508178
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1H-indole-2-carboxylate
CID 7466085
2-(1,4-diazepan-1-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 43327503
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
[4-(2,2-dimethoxyethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 167764803

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide?
The IUPAC name of 2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide (CID 29129307) is 2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide.
What is the SMILES notation for 2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide?
The canonical SMILES for 2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide is COc1ccc(CNC(=O)C(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1.
What is the InChIKey of 2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide?
The InChIKey is VUFRSSNGBQBAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-31-18-8-6-16(7-9-18)15-24-21(28)23(30)27-12-10-26(11-13-27)22(29)20-14-17-4-2-3-5-19(17)25-20/h2-9,14,25H,10-13,15H2,1H3,(H,24,28).
What are the key properties of 2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide?
2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide has a molecular weight of 420.47 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide is sourced from PubChem (CID 29129307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).