1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone

C22H24N2O2 — CID 113088993

IUPAC1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)N2CCCCC2c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H24N2O2/c1-16-9-11-18(12-10-16)26-15-22(25)24-13-5-4-8-21(24)20-14-17-6-2-3-7-19(17)23-20/h2-3,6-7,9-12,14,21,23H,4-5,8,13,15H2,1H3
InChIKeyCNRHFRHNPPYVJQ-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.61
Rot. Bonds4

About 1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone

1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone (PubChem CID 113088993) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
PubChem CID113088993
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)N2CCCCC2c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H24N2O2/c1-16-9-11-18(12-10-16)26-15-22(25)24-13-5-4-8-21(24)20-14-17-6-2-3-7-19(17)23-20/h2-3,6-7,9-12,14,21,23H,4-5,8,13,15H2,1H3
InChIKeyCNRHFRHNPPYVJQ-UHFFFAOYSA-N
XLogP4.61
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenoxy)-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113088985
1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 113089000
1-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 95616938
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(1H-indol-2-yl)piperidin-1-yl]propan-1-one
CID 126782301
(2R)-2-(1H-indol-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
CID 98900942
[2-(1H-indol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 113089008
[2-(1H-indol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119776657
2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone
CID 127477504
1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(3-methylphenoxy)ethanone
CID 25389944
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
2-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055616

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
The IUPAC name of 1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone (CID 113088993) is 1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone.
What is the SMILES notation for 1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
The canonical SMILES for 1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone is Cc1ccc(OCC(=O)N2CCCCC2c2cc3ccccc3[nH]2)cc1.
What is the InChIKey of 1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
The InChIKey is CNRHFRHNPPYVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-16-9-11-18(12-10-16)26-15-22(25)24-13-5-4-8-21(24)20-14-17-6-2-3-7-19(17)23-20/h2-3,6-7,9-12,14,21,23H,4-5,8,13,15H2,1H3.
What are the key properties of 1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone has a molecular weight of 348.45 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone is sourced from PubChem (CID 113088993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).