1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-2-quinolin-8-ylethanone

C25H25N3O — CID 86821360

IUPAC1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-2-quinolin-8-ylethanone
SMILESCc1[nH]c2ccccc2c1C1CCN(C(=O)Cc2cccc3cccnc23)CC1
InChIInChI=1S/C25H25N3O/c1-17-24(21-9-2-3-10-22(21)27-17)18-11-14-28(15-12-18)23(29)16-20-7-4-6-19-8-5-13-26-25(19)20/h2-10,13,18,27H,11-12,14-16H2,1H3
InChIKeyRNCJXEQWJUAEDQ-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.97
Rot. Bonds3

About 1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-2-quinolin-8-ylethanone

1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-2-quinolin-8-ylethanone (PubChem CID 86821360) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-2-quinolin-8-ylethanone.

Molecular Properties

Compound Name1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-2-quinolin-8-ylethanone
PubChem CID86821360
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-2-quinolin-8-ylethanone
SMILESCc1[nH]c2ccccc2c1C1CCN(C(=O)Cc2cccc3cccnc23)CC1
InChIInChI=1S/C25H25N3O/c1-17-24(21-9-2-3-10-22(21)27-17)18-11-14-28(15-12-18)23(29)16-20-7-4-6-19-8-5-13-26-25(19)20/h2-10,13,18,27H,11-12,14-16H2,1H3
InChIKeyRNCJXEQWJUAEDQ-UHFFFAOYSA-N
XLogP4.97
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087318
1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-2-(2-nitrophenyl)ethanone
CID 60552261
2-(4-methoxyphenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087303
cyclobutyl-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087328
1-(4-phenylpiperazin-1-yl)-2-quinolin-8-ylethanone
CID 51320584
4-(2-methyl-1H-indol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 113087330
[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 113087329
tert-butyl N-[1-(2-quinolin-8-ylacetyl)piperidin-4-yl]carbamate
CID 55972152
1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one
CID 60552262
5-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]pentan-1-ol
CID 110923848
2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
CID 47320292
6-(2-quinolin-8-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514844

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-2-quinolin-8-ylethanone?
The IUPAC name of 1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-2-quinolin-8-ylethanone (CID 86821360) is 1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-2-quinolin-8-ylethanone.
What is the SMILES notation for 1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-2-quinolin-8-ylethanone?
The canonical SMILES for 1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-2-quinolin-8-ylethanone is Cc1[nH]c2ccccc2c1C1CCN(C(=O)Cc2cccc3cccnc23)CC1.
What is the InChIKey of 1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-2-quinolin-8-ylethanone?
The InChIKey is RNCJXEQWJUAEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-17-24(21-9-2-3-10-22(21)27-17)18-11-14-28(15-12-18)23(29)16-20-7-4-6-19-8-5-13-26-25(19)20/h2-10,13,18,27H,11-12,14-16H2,1H3.
What are the key properties of 1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-2-quinolin-8-ylethanone?
1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-2-quinolin-8-ylethanone has a molecular weight of 383.50 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-2-quinolin-8-ylethanone is sourced from PubChem (CID 86821360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).