2-(1H-indol-3-yl)-1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]ethanone

C24H25N3O — CID 113088041

IUPAC2-(1H-indol-3-yl)-1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]ethanone
SMILESCc1ccc2[nH]c(C3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)cc2c1
InChIInChI=1S/C24H25N3O/c1-16-6-7-21-18(12-16)13-23(26-21)17-8-10-27(11-9-17)24(28)14-19-15-25-22-5-3-2-4-20(19)22/h2-7,12-13,15,17,25-26H,8-11,14H2,1H3
InChIKeyTVBHMRYBRYAAKZ-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.91
Rot. Bonds3

About 2-(1H-indol-3-yl)-1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]ethanone

2-(1H-indol-3-yl)-1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]ethanone (PubChem CID 113088041) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]ethanone
PubChem CID113088041
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name2-(1H-indol-3-yl)-1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]ethanone
SMILESCc1ccc2[nH]c(C3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)cc2c1
InChIInChI=1S/C24H25N3O/c1-16-6-7-21-18(12-16)13-23(26-21)17-8-10-27(11-9-17)24(28)14-19-15-25-22-5-3-2-4-20(19)22/h2-7,12-13,15,17,25-26H,8-11,14H2,1H3
InChIKeyTVBHMRYBRYAAKZ-UHFFFAOYSA-N
XLogP4.91
TPSA51.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 113088197
1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]-2-phenylethanone
CID 113088043
2-(2-fluorophenyl)-1-[4-(1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113087860
1-[4-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 71883526
2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone
CID 62047169
1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 28706781
1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763
(2-hydroxy-4-methylphenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 139011392
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 106671580
2-(2-fluorophenyl)-1-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113088256
1-[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 124977730
1-[(4S)-4-aminoazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 95726890

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(1H-indol-3-yl)-1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]ethanone (CID 113088041) is 2-(1H-indol-3-yl)-1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(1H-indol-3-yl)-1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(1H-indol-3-yl)-1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]ethanone is Cc1ccc2[nH]c(C3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)cc2c1.
What is the InChIKey of 2-(1H-indol-3-yl)-1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is TVBHMRYBRYAAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-16-6-7-21-18(12-16)13-23(26-21)17-8-10-27(11-9-17)24(28)14-19-15-25-22-5-3-2-4-20(19)22/h2-7,12-13,15,17,25-26H,8-11,14H2,1H3.
What are the key properties of 2-(1H-indol-3-yl)-1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]ethanone?
2-(1H-indol-3-yl)-1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 371.48 g/mol, XLogP of 4.91, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 113088041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).