1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-(4-methylpiperidin-1-yl)anilino]ethanone

C23H29N3O — CID 109010553

IUPAC1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-(4-methylpiperidin-1-yl)anilino]ethanone
SMILESCC1CCN(c2ccc(NCC(=O)N3c4ccccc4CC3C)cc2)CC1
InChIInChI=1S/C23H29N3O/c1-17-11-13-25(14-12-17)21-9-7-20(8-10-21)24-16-23(27)26-18(2)15-19-5-3-4-6-22(19)26/h3-10,17-18,24H,11-16H2,1-2H3
InChIKeyAACKCRBBIYMOKT-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.31
Rot. Bonds4

About 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-(4-methylpiperidin-1-yl)anilino]ethanone

1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-(4-methylpiperidin-1-yl)anilino]ethanone (PubChem CID 109010553) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-(4-methylpiperidin-1-yl)anilino]ethanone.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-(4-methylpiperidin-1-yl)anilino]ethanone
PubChem CID109010553
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-(4-methylpiperidin-1-yl)anilino]ethanone
SMILESCC1CCN(c2ccc(NCC(=O)N3c4ccccc4CC3C)cc2)CC1
InChIInChI=1S/C23H29N3O/c1-17-11-13-25(14-12-17)21-9-7-20(8-10-21)24-16-23(27)26-18(2)15-19-5-3-4-6-22(19)26/h3-10,17-18,24H,11-16H2,1-2H3
InChIKeyAACKCRBBIYMOKT-UHFFFAOYSA-N
XLogP4.31
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(2-methyl-2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-oxopropanamide
CID 108956522
N-methyl-2-[4-[[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]phenyl]acetamide
CID 37224123
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-phenylmethoxyanilino)ethanone
CID 2339721
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 5296275
2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437
2-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 8690886
methyl 3-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate
CID 109010122
2-(2-acetylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9103764
2-(2-tert-butylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 109008215
methyl-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 8592833
N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide
CID 109007147
2-(5-chloro-2-morpholin-4-ylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7778266

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-(4-methylpiperidin-1-yl)anilino]ethanone?
The IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-(4-methylpiperidin-1-yl)anilino]ethanone (CID 109010553) is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-(4-methylpiperidin-1-yl)anilino]ethanone.
What is the SMILES notation for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-(4-methylpiperidin-1-yl)anilino]ethanone?
The canonical SMILES for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-(4-methylpiperidin-1-yl)anilino]ethanone is CC1CCN(c2ccc(NCC(=O)N3c4ccccc4CC3C)cc2)CC1.
What is the InChIKey of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-(4-methylpiperidin-1-yl)anilino]ethanone?
The InChIKey is AACKCRBBIYMOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-17-11-13-25(14-12-17)21-9-7-20(8-10-21)24-16-23(27)26-18(2)15-19-5-3-4-6-22(19)26/h3-10,17-18,24H,11-16H2,1-2H3.
What are the key properties of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-(4-methylpiperidin-1-yl)anilino]ethanone?
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-(4-methylpiperidin-1-yl)anilino]ethanone has a molecular weight of 363.51 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 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)-2-[4-(4-methylpiperidin-1-yl)anilino]ethanone is sourced from PubChem (CID 109010553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).