2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone

C22H23ClN2O3 — CID 73057398

IUPAC2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone
SMILESCOc1ccc2[nH]cc(C(=O)CN3CCC(O)(c4ccc(Cl)cc4)CC3)c2c1
InChIInChI=1S/C22H23ClN2O3/c1-28-17-6-7-20-18(12-17)19(13-24-20)21(26)14-25-10-8-22(27,9-11-25)15-2-4-16(23)5-3-15/h2-7,12-13,24,27H,8-11,14H2,1H3
InChIKeyCGLMWJYSAQXLOV-UHFFFAOYSA-N
MW398.89 g/mol
LogP4.00
Rot. Bonds5

About 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone

2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone (PubChem CID 73057398) has the molecular formula C22H23ClN2O3 and a molecular weight of 398.89 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone
PubChem CID73057398
Molecular FormulaC22H23ClN2O3
Molecular Weight398.89 g/mol
Exact Mass398.14
IUPAC Name2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone
SMILESCOc1ccc2[nH]cc(C(=O)CN3CCC(O)(c4ccc(Cl)cc4)CC3)c2c1
InChIInChI=1S/C22H23ClN2O3/c1-28-17-6-7-20-18(12-17)19(13-24-20)21(26)14-25-10-8-22(27,9-11-25)15-2-4-16(23)5-3-15/h2-7,12-13,24,27H,8-11,14H2,1H3
InChIKeyCGLMWJYSAQXLOV-UHFFFAOYSA-N
XLogP4.00
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone?
The IUPAC name of 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone (CID 73057398) is 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone is COc1ccc2[nH]cc(C(=O)CN3CCC(O)(c4ccc(Cl)cc4)CC3)c2c1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone?
The InChIKey is CGLMWJYSAQXLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3/c1-28-17-6-7-20-18(12-17)19(13-24-20)21(26)14-25-10-8-22(27,9-11-25)15-2-4-16(23)5-3-15/h2-7,12-13,24,27H,8-11,14H2,1H3.
What are the key properties of 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone?
2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone has a molecular weight of 398.89 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone is sourced from PubChem (CID 73057398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).