(4-ethylpiperazin-1-yl)-[3-methyl-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydroindol-2-yl]methanone

C24H33N3O — CID 3468302

IUPAC(4-ethylpiperazin-1-yl)-[3-methyl-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydroindol-2-yl]methanone
SMILESCCN1CCN(C(=O)c2c(C)c3c(n2Cc2ccc(C)cc2)CCCC3)CC1
InChIInChI=1S/C24H33N3O/c1-4-25-13-15-26(16-14-25)24(28)23-19(3)21-7-5-6-8-22(21)27(23)17-20-11-9-18(2)10-12-20/h9-12H,4-8,13-17H2,1-3H3
InChIKeyREVHPACATRQNJU-UHFFFAOYSA-N
MW379.55 g/mol
LogP3.81
Rot. Bonds4

About (4-ethylpiperazin-1-yl)-[3-methyl-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydroindol-2-yl]methanone

(4-ethylpiperazin-1-yl)-[3-methyl-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydroindol-2-yl]methanone (PubChem CID 3468302) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[3-methyl-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydroindol-2-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[3-methyl-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydroindol-2-yl]methanone
PubChem CID3468302
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name(4-ethylpiperazin-1-yl)-[3-methyl-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydroindol-2-yl]methanone
SMILESCCN1CCN(C(=O)c2c(C)c3c(n2Cc2ccc(C)cc2)CCCC3)CC1
InChIInChI=1S/C24H33N3O/c1-4-25-13-15-26(16-14-25)24(28)23-19(3)21-7-5-6-8-22(21)27(23)17-20-11-9-18(2)10-12-20/h9-12H,4-8,13-17H2,1-3H3
InChIKeyREVHPACATRQNJU-UHFFFAOYSA-N
XLogP3.81
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-ethylpiperazin-1-yl)-[3-methyl-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydroindol-2-yl]methanone with MolForge

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Related Compounds

3-[1-[3-methyl-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydroindole-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 42789656
[1-[(3-methoxyphenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone
CID 42789667
[1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone
CID 42789636
1-[4-[4-(4-ethylpiperazin-1-yl)-1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrrole-2-carbonyl]piperazin-1-yl]ethanone
CID 42789817
[4-(4-ethylpiperazin-1-yl)-1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrrol-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 42789813
ethyl 4-[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carbonyl]piperazine-1-carboxylate
CID 42789733
[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 78774100
(4-benzyl-1,4-diazepan-1-yl)-(4-methylphenyl)methanone
CID 23738787
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
CID 25236881
1-(4-ethylpiperazin-1-yl)-2-[(4-methylphenyl)methylsulfanyl]ethanone
CID 53279617
(4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856605
4-ethyl-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide
CID 108891161

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[3-methyl-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydroindol-2-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[3-methyl-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydroindol-2-yl]methanone (CID 3468302) is (4-ethylpiperazin-1-yl)-[3-methyl-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydroindol-2-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[3-methyl-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydroindol-2-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[3-methyl-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydroindol-2-yl]methanone is CCN1CCN(C(=O)c2c(C)c3c(n2Cc2ccc(C)cc2)CCCC3)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[3-methyl-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydroindol-2-yl]methanone?
The InChIKey is REVHPACATRQNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-4-25-13-15-26(16-14-25)24(28)23-19(3)21-7-5-6-8-22(21)27(23)17-20-11-9-18(2)10-12-20/h9-12H,4-8,13-17H2,1-3H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[3-methyl-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydroindol-2-yl]methanone?
(4-ethylpiperazin-1-yl)-[3-methyl-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydroindol-2-yl]methanone has a molecular weight of 379.55 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[3-methyl-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydroindol-2-yl]methanone is sourced from PubChem (CID 3468302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).