N-[1-[2-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide

C23H24N4O3 — CID 166320676

IUPACN-[1-[2-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide
SMILESCC(=O)Nc1cccc2c1ccn2CC(=O)N1CCNC(=O)C1c1ccccc1C
InChIInChI=1S/C23H24N4O3/c1-15-6-3-4-7-17(15)22-23(30)24-11-13-27(22)21(29)14-26-12-10-18-19(25-16(2)28)8-5-9-20(18)26/h3-10,12,22H,11,13-14H2,1-2H3,(H,24,30)(H,25,28)
InChIKeyIGZFKZPGEIDRQR-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.61
Rot. Bonds4

About N-[1-[2-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide

N-[1-[2-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide (PubChem CID 166320676) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[1-[2-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide
PubChem CID166320676
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[1-[2-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide
SMILESCC(=O)Nc1cccc2c1ccn2CC(=O)N1CCNC(=O)C1c1ccccc1C
InChIInChI=1S/C23H24N4O3/c1-15-6-3-4-7-17(15)22-23(30)24-11-13-27(22)21(29)14-26-12-10-18-19(25-16(2)28)8-5-9-20(18)26/h3-10,12,22H,11,13-14H2,1-2H3,(H,24,30)(H,25,28)
InChIKeyIGZFKZPGEIDRQR-UHFFFAOYSA-N
XLogP2.61
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylphenyl)-4-propanoylpiperazin-2-one
CID 110657143
3-(2-methylphenyl)-4-(2-phenylacetyl)piperazin-2-one
CID 110657182
4-(3,3-dimethylbutanoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657246
N-[1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-4-yl]acetamide
CID 71828394
4-(2-methylbenzoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657157
N,N-diethyl-2-(2-methylphenyl)-3-oxopiperazine-1-carboxamide
CID 110657229
N-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide
CID 71829158
N-[1-[2-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]indol-4-yl]acetamide
CID 125123549
4-(2-bromobenzoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657163
4-(3-fluorobenzoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657161
2-(4-acetamidoindol-1-yl)-N-cyclohexylacetamide
CID 71829005
4-(adamantane-1-carbonyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657233

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide?
The IUPAC name of N-[1-[2-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide (CID 166320676) is N-[1-[2-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide.
What is the SMILES notation for N-[1-[2-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide?
The canonical SMILES for N-[1-[2-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide is CC(=O)Nc1cccc2c1ccn2CC(=O)N1CCNC(=O)C1c1ccccc1C.
What is the InChIKey of N-[1-[2-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide?
The InChIKey is IGZFKZPGEIDRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-15-6-3-4-7-17(15)22-23(30)24-11-13-27(22)21(29)14-26-12-10-18-19(25-16(2)28)8-5-9-20(18)26/h3-10,12,22H,11,13-14H2,1-2H3,(H,24,30)(H,25,28).
What are the key properties of N-[1-[2-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide?
N-[1-[2-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide has a molecular weight of 404.47 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide is sourced from PubChem (CID 166320676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).