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

C22H24N2O2 — CID 71883526

IUPAC1-[4-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C22H24N2O2/c1-26-21-9-5-3-7-18(21)15-22(25)24-12-10-16(11-13-24)20-14-17-6-2-4-8-19(17)23-20/h2-9,14,16,23H,10-13,15H2,1H3
InChIKeyVOWSQAJEZDLVJQ-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.13
Rot. Bonds4

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

1-[4-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone (PubChem CID 71883526) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[4-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
PubChem CID71883526
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name1-[4-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C22H24N2O2/c1-26-21-9-5-3-7-18(21)15-22(25)24-12-10-16(11-13-24)20-14-17-6-2-4-8-19(17)23-20/h2-9,14,16,23H,10-13,15H2,1H3
InChIKeyVOWSQAJEZDLVJQ-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-1-[4-(1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113087860
2-(2-fluorophenyl)-1-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113088256
1-(4-bromopiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 80661576
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 113088321
2-(2-methoxyphenyl)-1-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]ethanone
CID 110236396
1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]-2-phenylethanone
CID 113088043
(4-fluorophenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087831
4-[1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136760277
4-[(3R)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136819876
2-(1H-indol-3-yl)-1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113088041
2-(2-methoxyphenyl)-1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 124941123
3-[2-[4-(1H-indol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 56821439

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-[4-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone (CID 71883526) is 1-[4-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[4-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-[4-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of 1-[4-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone?
The InChIKey is VOWSQAJEZDLVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-26-21-9-5-3-7-18(21)15-22(25)24-12-10-16(11-13-24)20-14-17-6-2-4-8-19(17)23-20/h2-9,14,16,23H,10-13,15H2,1H3.
What are the key properties of 1-[4-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone?
1-[4-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone has a molecular weight of 348.45 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 71883526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).