2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone

C22H24N2O3 — CID 73057397

IUPAC2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone
SMILESCOc1ccc2[nH]cc(C(=O)CN3CCC(O)(c4ccccc4)CC3)c2c1
InChIInChI=1S/C22H24N2O3/c1-27-17-7-8-20-18(13-17)19(14-23-20)21(25)15-24-11-9-22(26,10-12-24)16-5-3-2-4-6-16/h2-8,13-14,23,26H,9-12,15H2,1H3
InChIKeyUZFCEZBDIBYWIT-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.34
Rot. Bonds5

About 2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone

2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone (PubChem CID 73057397) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone
PubChem CID73057397
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone
SMILESCOc1ccc2[nH]cc(C(=O)CN3CCC(O)(c4ccccc4)CC3)c2c1
InChIInChI=1S/C22H24N2O3/c1-27-17-7-8-20-18(13-17)19(14-23-20)21(25)15-24-11-9-22(26,10-12-24)16-5-3-2-4-6-16/h2-8,13-14,23,26H,9-12,15H2,1H3
InChIKeyUZFCEZBDIBYWIT-UHFFFAOYSA-N
XLogP3.34
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone?
The IUPAC name of 2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone (CID 73057397) is 2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone is COc1ccc2[nH]cc(C(=O)CN3CCC(O)(c4ccccc4)CC3)c2c1.
What is the InChIKey of 2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone?
The InChIKey is UZFCEZBDIBYWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-27-17-7-8-20-18(13-17)19(14-23-20)21(25)15-24-11-9-22(26,10-12-24)16-5-3-2-4-6-16/h2-8,13-14,23,26H,9-12,15H2,1H3.
What are the key properties of 2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone?
2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone has a molecular weight of 364.45 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone is sourced from PubChem (CID 73057397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).