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

C22H23ClN2O2 — CID 113088842

IUPAC1-[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)N2CCCC(c3cc4cc(Cl)ccc4[nH]3)C2)cc1
InChIInChI=1S/C22H23ClN2O2/c1-15-4-7-19(8-5-15)27-14-22(26)25-10-2-3-16(13-25)21-12-17-11-18(23)6-9-20(17)24-21/h4-9,11-12,16,24H,2-3,10,13-14H2,1H3
InChIKeyGAPPZIPQIIGYOP-UHFFFAOYSA-N
MW382.89 g/mol
LogP4.91
Rot. Bonds4

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

1-[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone (PubChem CID 113088842) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is 1-[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
PubChem CID113088842
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC Name1-[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)N2CCCC(c3cc4cc(Cl)ccc4[nH]3)C2)cc1
InChIInChI=1S/C22H23ClN2O2/c1-15-4-7-19(8-5-15)27-14-22(26)25-10-2-3-16(13-25)21-12-17-11-18(23)6-9-20(17)24-21/h4-9,11-12,16,24H,2-3,10,13-14H2,1H3
InChIKeyGAPPZIPQIIGYOP-UHFFFAOYSA-N
XLogP4.91
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone with MolForge

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Related Compounds

1-[3-(4-chlorophenyl)azepan-1-yl]-2-(4-methylphenoxy)ethanone
CID 121146535
1-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]pentan-1-one
CID 113088645
[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113088826
3-(5-chloro-1H-indol-2-yl)-N-phenylpiperidine-1-carboxamide
CID 113088846
(3,4-difluorophenyl)-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088680
[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 113088821
(3R)-1-[2-(4-methylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 42257542
2-(4-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62535016
2-(4-chlorophenoxy)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122260293
1-[3-(1H-indol-2-yl)piperidin-1-yl]propan-1-one
CID 113088531
1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 113088993
1-(3-methoxypyrrolidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 108730604

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
The IUPAC name of 1-[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone (CID 113088842) is 1-[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone.
What is the SMILES notation for 1-[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
The canonical SMILES for 1-[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone is Cc1ccc(OCC(=O)N2CCCC(c3cc4cc(Cl)ccc4[nH]3)C2)cc1.
What is the InChIKey of 1-[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
The InChIKey is GAPPZIPQIIGYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c1-15-4-7-19(8-5-15)27-14-22(26)25-10-2-3-16(13-25)21-12-17-11-18(23)6-9-20(17)24-21/h4-9,11-12,16,24H,2-3,10,13-14H2,1H3.
What are the key properties of 1-[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
1-[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone has a molecular weight of 382.89 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone is sourced from PubChem (CID 113088842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).