2-(1,2-dimethylindol-3-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-oxoacetamide

C25H30N4O3 — CID 16800790

IUPAC2-(1,2-dimethylindol-3-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-oxoacetamide
SMILESCOc1ccc(N2CCN(CCNC(=O)C(=O)c3c(C)n(C)c4ccccc34)CC2)cc1
InChIInChI=1S/C25H30N4O3/c1-18-23(21-6-4-5-7-22(21)27(18)2)24(30)25(31)26-12-13-28-14-16-29(17-15-28)19-8-10-20(32-3)11-9-19/h4-11H,12-17H2,1-3H3,(H,26,31)
InChIKeyIKLDZFYMVSXVBC-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.62
Rot. Bonds7

About 2-(1,2-dimethylindol-3-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-oxoacetamide

2-(1,2-dimethylindol-3-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-oxoacetamide (PubChem CID 16800790) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-(1,2-dimethylindol-3-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(1,2-dimethylindol-3-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-oxoacetamide
PubChem CID16800790
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name2-(1,2-dimethylindol-3-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-oxoacetamide
SMILESCOc1ccc(N2CCN(CCNC(=O)C(=O)c3c(C)n(C)c4ccccc34)CC2)cc1
InChIInChI=1S/C25H30N4O3/c1-18-23(21-6-4-5-7-22(21)27(18)2)24(30)25(31)26-12-13-28-14-16-29(17-15-28)19-8-10-20(32-3)11-9-19/h4-11H,12-17H2,1-3H3,(H,26,31)
InChIKeyIKLDZFYMVSXVBC-UHFFFAOYSA-N
XLogP2.62
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 42268559
2-(1,2-dimethylindol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-oxoacetamide
CID 7087302
N'-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N-methyloxamide
CID 42390380
N'-(3-chloro-4-methylphenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268579
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N'-(2-methylphenyl)oxamide
CID 42390414
N-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109018803
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
CID 43957356
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxoacetamide
CID 41429515
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 42266407
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 46410529
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)benzamide
CID 42266376
1-(2,3-dimethylphenyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea
CID 22430377

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylindol-3-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-oxoacetamide?
The IUPAC name of 2-(1,2-dimethylindol-3-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-oxoacetamide (CID 16800790) is 2-(1,2-dimethylindol-3-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-oxoacetamide.
What is the SMILES notation for 2-(1,2-dimethylindol-3-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-oxoacetamide?
The canonical SMILES for 2-(1,2-dimethylindol-3-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-oxoacetamide is COc1ccc(N2CCN(CCNC(=O)C(=O)c3c(C)n(C)c4ccccc34)CC2)cc1.
What is the InChIKey of 2-(1,2-dimethylindol-3-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-oxoacetamide?
The InChIKey is IKLDZFYMVSXVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-18-23(21-6-4-5-7-22(21)27(18)2)24(30)25(31)26-12-13-28-14-16-29(17-15-28)19-8-10-20(32-3)11-9-19/h4-11H,12-17H2,1-3H3,(H,26,31).
What are the key properties of 2-(1,2-dimethylindol-3-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-oxoacetamide?
2-(1,2-dimethylindol-3-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-oxoacetamide has a molecular weight of 434.54 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylindol-3-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-oxoacetamide is sourced from PubChem (CID 16800790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).