4-[2-[3-(2,3-dihydroindole-1-carbonyl)anilino]acetyl]piperazin-2-one

C21H22N4O3 — CID 60607708

IUPAC4-[2-[3-(2,3-dihydroindole-1-carbonyl)anilino]acetyl]piperazin-2-one
SMILESO=C1CN(C(=O)CNc2cccc(C(=O)N3CCc4ccccc43)c2)CCN1
InChIInChI=1S/C21H22N4O3/c26-19-14-24(11-9-22-19)20(27)13-23-17-6-3-5-16(12-17)21(28)25-10-8-15-4-1-2-7-18(15)25/h1-7,12,23H,8-11,13-14H2,(H,22,26)
InChIKeyCGAVOWKGKNCPNM-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.26
Rot. Bonds4

About 4-[2-[3-(2,3-dihydroindole-1-carbonyl)anilino]acetyl]piperazin-2-one

4-[2-[3-(2,3-dihydroindole-1-carbonyl)anilino]acetyl]piperazin-2-one (PubChem CID 60607708) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-[2-[3-(2,3-dihydroindole-1-carbonyl)anilino]acetyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-[3-(2,3-dihydroindole-1-carbonyl)anilino]acetyl]piperazin-2-one
PubChem CID60607708
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name4-[2-[3-(2,3-dihydroindole-1-carbonyl)anilino]acetyl]piperazin-2-one
SMILESO=C1CN(C(=O)CNc2cccc(C(=O)N3CCc4ccccc43)c2)CCN1
InChIInChI=1S/C21H22N4O3/c26-19-14-24(11-9-22-19)20(27)13-23-17-6-3-5-16(12-17)21(28)25-10-8-15-4-1-2-7-18(15)25/h1-7,12,23H,8-11,13-14H2,(H,22,26)
InChIKeyCGAVOWKGKNCPNM-UHFFFAOYSA-N
XLogP1.26
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-[3-(2,3-dihydroindole-1-carbonyl)anilino]acetyl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 26290520
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(morpholine-4-carbonyl)anilino]ethanone
CID 54836679
N-[3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]benzamide
CID 54839150
2,3-dihydroindol-1-yl-[3-[(3-propan-2-ylphenyl)methylamino]phenyl]methanone
CID 154866237
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]ethanone
CID 54843456
1-(2-anilinoacetyl)-1,4-diazepan-5-one
CID 63004979
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]methanesulfonamide
CID 8001369
3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867
1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-(2-hydroxyethyl)urea
CID 60614369
2-(3,4-dichloroanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 9098782
1-(2,3-dihydroindol-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
CID 4818722
3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54841691

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(2,3-dihydroindole-1-carbonyl)anilino]acetyl]piperazin-2-one?
The IUPAC name of 4-[2-[3-(2,3-dihydroindole-1-carbonyl)anilino]acetyl]piperazin-2-one (CID 60607708) is 4-[2-[3-(2,3-dihydroindole-1-carbonyl)anilino]acetyl]piperazin-2-one.
What is the SMILES notation for 4-[2-[3-(2,3-dihydroindole-1-carbonyl)anilino]acetyl]piperazin-2-one?
The canonical SMILES for 4-[2-[3-(2,3-dihydroindole-1-carbonyl)anilino]acetyl]piperazin-2-one is O=C1CN(C(=O)CNc2cccc(C(=O)N3CCc4ccccc43)c2)CCN1.
What is the InChIKey of 4-[2-[3-(2,3-dihydroindole-1-carbonyl)anilino]acetyl]piperazin-2-one?
The InChIKey is CGAVOWKGKNCPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-19-14-24(11-9-22-19)20(27)13-23-17-6-3-5-16(12-17)21(28)25-10-8-15-4-1-2-7-18(15)25/h1-7,12,23H,8-11,13-14H2,(H,22,26).
What are the key properties of 4-[2-[3-(2,3-dihydroindole-1-carbonyl)anilino]acetyl]piperazin-2-one?
4-[2-[3-(2,3-dihydroindole-1-carbonyl)anilino]acetyl]piperazin-2-one has a molecular weight of 378.43 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(2,3-dihydroindole-1-carbonyl)anilino]acetyl]piperazin-2-one is sourced from PubChem (CID 60607708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).