1-(2-methyl-2,3-dihydroindol-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one

C23H29N3O — CID 109029430

IUPAC1-(2-methyl-2,3-dihydroindol-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
SMILESCc1cccc(N2CCN(CCC(=O)N3c4ccccc4CC3C)CC2)c1
InChIInChI=1S/C23H29N3O/c1-18-6-5-8-21(16-18)25-14-12-24(13-15-25)11-10-23(27)26-19(2)17-20-7-3-4-9-22(20)26/h3-9,16,19H,10-15,17H2,1-2H3
InChIKeyFOCHDMBPHJDFIP-UHFFFAOYSA-N
MW363.50 g/mol
LogP3.48
Rot. Bonds4

About 1-(2-methyl-2,3-dihydroindol-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one

1-(2-methyl-2,3-dihydroindol-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one (PubChem CID 109029430) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydroindol-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydroindol-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
PubChem CID109029430
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name1-(2-methyl-2,3-dihydroindol-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
SMILESCc1cccc(N2CCN(CCC(=O)N3c4ccccc4CC3C)CC2)c1
InChIInChI=1S/C23H29N3O/c1-18-6-5-8-21(16-18)25-14-12-24(13-15-25)11-10-23(27)26-19(2)17-20-7-3-4-9-22(20)26/h3-9,16,19H,10-15,17H2,1-2H3
InChIKeyFOCHDMBPHJDFIP-UHFFFAOYSA-N
XLogP3.48
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 7330983
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109024627
3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid;dihydrochloride
CID 43810604
3-[4-(3-methylphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 119402779
1-[3-[4-(3-methylphenyl)piperazin-1-yl]propanoyl]piperidine-4-carboxylic acid
CID 119349672
2-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 8690886
ethyl 1-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]-4-phenylpiperidine-4-carboxylate
CID 7357281
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-diazepan-1-yl]ethanone
CID 3438367
3-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide
CID 113001074
3-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 109029285
1-(2-ethylpiperidin-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 109029372
1-(1,4-diazepan-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119417381

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one (CID 109029430) is 1-(2-methyl-2,3-dihydroindol-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(2-methyl-2,3-dihydroindol-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(2-methyl-2,3-dihydroindol-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one is Cc1cccc(N2CCN(CCC(=O)N3c4ccccc4CC3C)CC2)c1.
What is the InChIKey of 1-(2-methyl-2,3-dihydroindol-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is FOCHDMBPHJDFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-18-6-5-8-21(16-18)25-14-12-24(13-15-25)11-10-23(27)26-19(2)17-20-7-3-4-9-22(20)26/h3-9,16,19H,10-15,17H2,1-2H3.
What are the key properties of 1-(2-methyl-2,3-dihydroindol-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
1-(2-methyl-2,3-dihydroindol-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 363.50 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydroindol-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 109029430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).