N-[1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-4-yl]acetamide

C22H24N4O2 — CID 71828394

IUPACN-[1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-4-yl]acetamide
SMILESCC(=O)Nc1cccc2c1ccn2CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H24N4O2/c1-17(27)23-20-8-5-9-21-19(20)10-11-26(21)16-22(28)25-14-12-24(13-15-25)18-6-3-2-4-7-18/h2-11H,12-16H2,1H3,(H,23,27)
InChIKeyHJOIUSSUYZTAAH-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.95
Rot. Bonds4

About N-[1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-4-yl]acetamide

N-[1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-4-yl]acetamide (PubChem CID 71828394) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-4-yl]acetamide
PubChem CID71828394
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-4-yl]acetamide
SMILESCC(=O)Nc1cccc2c1ccn2CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H24N4O2/c1-17(27)23-20-8-5-9-21-19(20)10-11-26(21)16-22(28)25-14-12-24(13-15-25)18-6-3-2-4-7-18/h2-11H,12-16H2,1H3,(H,23,27)
InChIKeyHJOIUSSUYZTAAH-UHFFFAOYSA-N
XLogP2.95
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide
CID 71829158
2-(4-acetamidoindol-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 71827899
N-[1-[2-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]indol-4-yl]acetamide
CID 125123549
2-(4-acetamidoindol-1-yl)-N-cyclohexylacetamide
CID 71829005
N-[1-[2-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide
CID 166320676
2-(2,3-dimethylimidazol-3-ium-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone chloride
CID 87584525
2-(3-benzylsulfonylindol-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 20911073
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide
CID 17459284
2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 20911132
methyl (2S)-2-[[2-(4-acetamidoindol-1-yl)acetyl]amino]-3-methylbutanoate
CID 91638079
1-(4-acetyl-1,4-diazepan-1-yl)-2-indol-1-ylethanone
CID 56817791

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-4-yl]acetamide?
The IUPAC name of N-[1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-4-yl]acetamide (CID 71828394) is N-[1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-4-yl]acetamide.
What is the SMILES notation for N-[1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-4-yl]acetamide?
The canonical SMILES for N-[1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-4-yl]acetamide is CC(=O)Nc1cccc2c1ccn2CC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-4-yl]acetamide?
The InChIKey is HJOIUSSUYZTAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-17(27)23-20-8-5-9-21-19(20)10-11-26(21)16-22(28)25-14-12-24(13-15-25)18-6-3-2-4-7-18/h2-11H,12-16H2,1H3,(H,23,27).
What are the key properties of N-[1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-4-yl]acetamide?
N-[1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-4-yl]acetamide has a molecular weight of 376.46 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-4-yl]acetamide is sourced from PubChem (CID 71828394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).