2-(4-chloroindol-1-yl)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethanone

C21H20Cl2N2O2 — CID 39313404

IUPAC2-(4-chloroindol-1-yl)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethanone
SMILESO=C(Cn1ccc2c(Cl)cccc21)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H20Cl2N2O2/c22-16-6-4-15(5-7-16)21(27)9-12-24(13-10-21)20(26)14-25-11-8-17-18(23)2-1-3-19(17)25/h1-8,11,27H,9-10,12-14H2
InChIKeyCCQLSHQSGKDSCE-UHFFFAOYSA-N
MW403.31 g/mol
LogP4.46
Rot. Bonds3

About 2-(4-chloroindol-1-yl)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethanone

2-(4-chloroindol-1-yl)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethanone (PubChem CID 39313404) has the molecular formula C21H20Cl2N2O2 and a molecular weight of 403.31 g/mol. Its IUPAC name is 2-(4-chloroindol-1-yl)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloroindol-1-yl)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethanone
PubChem CID39313404
Molecular FormulaC21H20Cl2N2O2
Molecular Weight403.31 g/mol
Exact Mass402.09
IUPAC Name2-(4-chloroindol-1-yl)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethanone
SMILESO=C(Cn1ccc2c(Cl)cccc21)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H20Cl2N2O2/c22-16-6-4-15(5-7-16)21(27)9-12-24(13-10-21)20(26)14-25-11-8-17-18(23)2-1-3-19(17)25/h1-8,11,27H,9-10,12-14H2
InChIKeyCCQLSHQSGKDSCE-UHFFFAOYSA-N
XLogP4.46
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroindol-1-yl)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethanone?
The IUPAC name of 2-(4-chloroindol-1-yl)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethanone (CID 39313404) is 2-(4-chloroindol-1-yl)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chloroindol-1-yl)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chloroindol-1-yl)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethanone is O=C(Cn1ccc2c(Cl)cccc21)N1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chloroindol-1-yl)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethanone?
The InChIKey is CCQLSHQSGKDSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O2/c22-16-6-4-15(5-7-16)21(27)9-12-24(13-10-21)20(26)14-25-11-8-17-18(23)2-1-3-19(17)25/h1-8,11,27H,9-10,12-14H2.
What are the key properties of 2-(4-chloroindol-1-yl)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethanone?
2-(4-chloroindol-1-yl)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethanone has a molecular weight of 403.31 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroindol-1-yl)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethanone is sourced from PubChem (CID 39313404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).