1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone

C22H24N2O — CID 113089000

IUPAC1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)N1CCCCC1c1cc2ccccc2[nH]1
InChIInChI=1S/C22H24N2O/c1-16-8-2-3-9-17(16)15-22(25)24-13-7-6-12-21(24)20-14-18-10-4-5-11-19(18)23-20/h2-5,8-11,14,21,23H,6-7,12-13,15H2,1H3
InChIKeyAKMOSOZWUKPBNT-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.77
Rot. Bonds3

About 1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone

1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone (PubChem CID 113089000) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
PubChem CID113089000
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)N1CCCCC1c1cc2ccccc2[nH]1
InChIInChI=1S/C22H24N2O/c1-16-8-2-3-9-17(16)15-22(25)24-13-7-6-12-21(24)20-14-18-10-4-5-11-19(18)23-20/h2-5,8-11,14,21,23H,6-7,12-13,15H2,1H3
InChIKeyAKMOSOZWUKPBNT-UHFFFAOYSA-N
XLogP4.77
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 95616938
1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 113088993
[2-(1H-indol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119776657
[2-(1H-indol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 113089008
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(1H-indol-2-yl)piperidin-1-yl]propan-1-one
CID 126782301
2-(4-chlorophenoxy)-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113088985
2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone
CID 127477504
N-(4-hydroxycyclohexyl)-2-(1H-indol-2-yl)piperidine-1-carboxamide
CID 111109545
(3-aminocyclopentyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone;hydrochloride
CID 119776626
(2R)-2-(1H-indol-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
CID 98900942
3-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]propanoic acid
CID 124704455
2-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]-1H-indole
CID 113089044

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone (CID 113089000) is 1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone is Cc1ccccc1CC(=O)N1CCCCC1c1cc2ccccc2[nH]1.
What is the InChIKey of 1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone?
The InChIKey is AKMOSOZWUKPBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-16-8-2-3-9-17(16)15-22(25)24-13-7-6-12-21(24)20-14-18-10-4-5-11-19(18)23-20/h2-5,8-11,14,21,23H,6-7,12-13,15H2,1H3.
What are the key properties of 1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone?
1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone has a molecular weight of 332.45 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 113089000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).