1-(5-hydroxy-1H-indol-3-yl)-2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]ethanone

C23H26N2O3 — CID 127024996

IUPAC1-(5-hydroxy-1H-indol-3-yl)-2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]ethanone
SMILESCOc1ccc(CC2CCN(CC(=O)c3c[nH]c4ccc(O)cc34)CC2)cc1
InChIInChI=1S/C23H26N2O3/c1-28-19-5-2-16(3-6-19)12-17-8-10-25(11-9-17)15-23(27)21-14-24-22-7-4-18(26)13-20(21)22/h2-7,13-14,17,24,26H,8-12,15H2,1H3
InChIKeyOTLDWDPNCQUQHZ-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.02
Rot. Bonds6

About 1-(5-hydroxy-1H-indol-3-yl)-2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]ethanone

1-(5-hydroxy-1H-indol-3-yl)-2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]ethanone (PubChem CID 127024996) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-(5-hydroxy-1H-indol-3-yl)-2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(5-hydroxy-1H-indol-3-yl)-2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]ethanone
PubChem CID127024996
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name1-(5-hydroxy-1H-indol-3-yl)-2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]ethanone
SMILESCOc1ccc(CC2CCN(CC(=O)c3c[nH]c4ccc(O)cc34)CC2)cc1
InChIInChI=1S/C23H26N2O3/c1-28-19-5-2-16(3-6-19)12-17-8-10-25(11-9-17)15-23(27)21-14-24-22-7-4-18(26)13-20(21)22/h2-7,13-14,17,24,26H,8-12,15H2,1H3
InChIKeyOTLDWDPNCQUQHZ-UHFFFAOYSA-N
XLogP4.02
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-hydroxy-1H-indol-3-yl)-2-[4-[(4-methoxyphenyl)methyl]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

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-1H-indol-3-yl)-2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-(5-hydroxy-1H-indol-3-yl)-2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]ethanone (CID 127024996) is 1-(5-hydroxy-1H-indol-3-yl)-2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(5-hydroxy-1H-indol-3-yl)-2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-(5-hydroxy-1H-indol-3-yl)-2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]ethanone is COc1ccc(CC2CCN(CC(=O)c3c[nH]c4ccc(O)cc34)CC2)cc1.
What is the InChIKey of 1-(5-hydroxy-1H-indol-3-yl)-2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]ethanone?
The InChIKey is OTLDWDPNCQUQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-28-19-5-2-16(3-6-19)12-17-8-10-25(11-9-17)15-23(27)21-14-24-22-7-4-18(26)13-20(21)22/h2-7,13-14,17,24,26H,8-12,15H2,1H3.
What are the key properties of 1-(5-hydroxy-1H-indol-3-yl)-2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]ethanone?
1-(5-hydroxy-1H-indol-3-yl)-2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]ethanone has a molecular weight of 378.47 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-1H-indol-3-yl)-2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 127024996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).