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

C21H21ClN2O2 — CID 113088985

IUPAC2-(4-chlorophenoxy)-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCCCC1c1cc2ccccc2[nH]1
InChIInChI=1S/C21H21ClN2O2/c22-16-8-10-17(11-9-16)26-14-21(25)24-12-4-3-7-20(24)19-13-15-5-1-2-6-18(15)23-19/h1-2,5-6,8-11,13,20,23H,3-4,7,12,14H2
InChIKeyOROUHIVSBGWDSL-UHFFFAOYSA-N
MW368.86 g/mol
LogP4.95
Rot. Bonds4

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

2-(4-chlorophenoxy)-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone (PubChem CID 113088985) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone
PubChem CID113088985
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name2-(4-chlorophenoxy)-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCCCC1c1cc2ccccc2[nH]1
InChIInChI=1S/C21H21ClN2O2/c22-16-8-10-17(11-9-16)26-14-21(25)24-12-4-3-7-20(24)19-13-15-5-1-2-6-18(15)23-19/h1-2,5-6,8-11,13,20,23H,3-4,7,12,14H2
InChIKeyOROUHIVSBGWDSL-UHFFFAOYSA-N
XLogP4.95
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenoxy)-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 113088993
1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 113089000
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(1H-indol-2-yl)piperidin-1-yl]propan-1-one
CID 126782301
1-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 95616938
[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
1-[2-(4-chlorophenoxy)acetyl]azepane-2-carboxylic acid
CID 64559752
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone (CID 113088985) is 2-(4-chlorophenoxy)-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone is O=C(COc1ccc(Cl)cc1)N1CCCCC1c1cc2ccccc2[nH]1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is OROUHIVSBGWDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c22-16-8-10-17(11-9-16)26-14-21(25)24-12-4-3-7-20(24)19-13-15-5-1-2-6-18(15)23-19/h1-2,5-6,8-11,13,20,23H,3-4,7,12,14H2.
What are the key properties of 2-(4-chlorophenoxy)-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone?
2-(4-chlorophenoxy)-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 368.86 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 113088985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).