(2S)-1-(2,3-dihydroindol-1-yl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]propan-1-one

C24H31N3O3 — CID 9357373

IUPAC(2S)-1-(2,3-dihydroindol-1-yl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]propan-1-one
SMILESCOc1ccc(OCCN2CCN([C@@H](C)C(=O)N3CCc4ccccc43)CC2)cc1
InChIInChI=1S/C24H31N3O3/c1-19(24(28)27-12-11-20-5-3-4-6-23(20)27)26-15-13-25(14-16-26)17-18-30-22-9-7-21(29-2)8-10-22/h3-10,19H,11-18H2,1-2H3/t19-/m0/s1
InChIKeyNWEUNQAENKVCEW-IBGZPJMESA-N
MW409.53 g/mol
LogP2.67
Rot. Bonds7

About (2S)-1-(2,3-dihydroindol-1-yl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]propan-1-one

(2S)-1-(2,3-dihydroindol-1-yl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]propan-1-one (PubChem CID 9357373) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is (2S)-1-(2,3-dihydroindol-1-yl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-1-(2,3-dihydroindol-1-yl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]propan-1-one
PubChem CID9357373
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name(2S)-1-(2,3-dihydroindol-1-yl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]propan-1-one
SMILESCOc1ccc(OCCN2CCN([C@@H](C)C(=O)N3CCc4ccccc43)CC2)cc1
InChIInChI=1S/C24H31N3O3/c1-19(24(28)27-12-11-20-5-3-4-6-23(20)27)26-15-13-25(14-16-26)17-18-30-22-9-7-21(29-2)8-10-22/h3-10,19H,11-18H2,1-2H3/t19-/m0/s1
InChIKeyNWEUNQAENKVCEW-IBGZPJMESA-N
XLogP2.67
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-1-(2,3-dihydroindol-1-yl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]propan-1-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

(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethylpiperazin-1-yl)propan-1-one
CID 1439229
1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 42911822
2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 134062617
(2S)-1-(2,3-dihydroindol-1-yl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 8774476
(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 9207032
2,3-dihydroindol-1-yl-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]methanone
CID 22390855
(2R)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one
CID 95349308
1-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-ylpiperazine
CID 47010456
1-(2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
CID 4818334
(2S)-N-(tert-butylcarbamoyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]propanamide
CID 9494194
1-(2,3-dihydroindol-1-yl)-2-[2-(4-methoxyphenoxy)ethylamino]ethanone
CID 109005214
(2S)-1-(2,3-dihydroindol-1-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 8725314

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,3-dihydroindol-1-yl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]propan-1-one?
The IUPAC name of (2S)-1-(2,3-dihydroindol-1-yl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]propan-1-one (CID 9357373) is (2S)-1-(2,3-dihydroindol-1-yl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-1-(2,3-dihydroindol-1-yl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for (2S)-1-(2,3-dihydroindol-1-yl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]propan-1-one is COc1ccc(OCCN2CCN([C@@H](C)C(=O)N3CCc4ccccc43)CC2)cc1.
What is the InChIKey of (2S)-1-(2,3-dihydroindol-1-yl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]propan-1-one?
The InChIKey is NWEUNQAENKVCEW-IBGZPJMESA-N. The full InChI is InChI=1S/C24H31N3O3/c1-19(24(28)27-12-11-20-5-3-4-6-23(20)27)26-15-13-25(14-16-26)17-18-30-22-9-7-21(29-2)8-10-22/h3-10,19H,11-18H2,1-2H3/t19-/m0/s1.
What are the key properties of (2S)-1-(2,3-dihydroindol-1-yl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]propan-1-one?
(2S)-1-(2,3-dihydroindol-1-yl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]propan-1-one has a molecular weight of 409.53 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,3-dihydroindol-1-yl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 9357373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).