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

C25H30N2O5 — CID 91429341

IUPACethyl [3-[[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1H-indol-2-yl] carbonate
SMILESCCOC(=O)Oc1[nH]c2ccc(C)cc2c1CN1CCCC(O)(c2cccc(OC)c2)C1
InChIInChI=1S/C25H30N2O5/c1-4-31-24(28)32-23-21(20-13-17(2)9-10-22(20)26-23)15-27-12-6-11-25(29,16-27)18-7-5-8-19(14-18)30-3/h5,7-10,13-14,26,29H,4,6,11-12,15-16H2,1-3H3
InChIKeySGGOQYIOBGKDQY-UHFFFAOYSA-N
MW438.52 g/mol
LogP4.50
Rot. Bonds6

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

ethyl [3-[[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1H-indol-2-yl] carbonate (PubChem CID 91429341) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is ethyl [3-[[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1H-indol-2-yl] carbonate.

Molecular Properties

Compound Nameethyl [3-[[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1H-indol-2-yl] carbonate
PubChem CID91429341
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Nameethyl [3-[[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1H-indol-2-yl] carbonate
SMILESCCOC(=O)Oc1[nH]c2ccc(C)cc2c1CN1CCCC(O)(c2cccc(OC)c2)C1
InChIInChI=1S/C25H30N2O5/c1-4-31-24(28)32-23-21(20-13-17(2)9-10-22(20)26-23)15-27-12-6-11-25(29,16-27)18-7-5-8-19(14-18)30-3/h5,7-10,13-14,26,29H,4,6,11-12,15-16H2,1-3H3
InChIKeySGGOQYIOBGKDQY-UHFFFAOYSA-N
XLogP4.50
TPSA84.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl [3-[[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1H-indol-2-yl] carbonate with MolForge

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Related Compounds

ethyl 5-chloro-3-[[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methyl]-1H-indole-2-carboxylate
CID 10160604
3-(3-methoxyphenyl)-1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-3-ol
CID 91156516
1-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride
CID 11631684
1-[(4-bromophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride
CID 11711307
1-(2,2-diphenylethyl)-3-(3-methoxyphenyl)piperidin-3-ol
CID 11560902
ethyl 3-[[[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methylamino]methyl]-5-methyl-1H-indole-2-carboxylate
CID 10161103
2-(cyclopropylmethyl)-4a-(3-methoxyphenyl)-9-methyl-1,3,4,5,6,11-hexahydropyrido[4,3-b]carbazol-11a-ol
CID 19435582
[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 45197321
(3,5-dichloro-1H-indol-2-yl) ethyl carbonate
CID 22362544
1-[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]-2,2-diphenylethanone
CID 11632745
3-(3-aminophenyl)-1-ethylpiperidin-3-ol
CID 25223580
3-[(3-hydroxy-3-phenylpyrrolidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 56710630

Frequently Asked Questions

What is the IUPAC name of ethyl [3-[[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1H-indol-2-yl] carbonate?
The IUPAC name of ethyl [3-[[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1H-indol-2-yl] carbonate (CID 91429341) is ethyl [3-[[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1H-indol-2-yl] carbonate.
What is the SMILES notation for ethyl [3-[[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1H-indol-2-yl] carbonate?
The canonical SMILES for ethyl [3-[[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1H-indol-2-yl] carbonate is CCOC(=O)Oc1[nH]c2ccc(C)cc2c1CN1CCCC(O)(c2cccc(OC)c2)C1.
What is the InChIKey of ethyl [3-[[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1H-indol-2-yl] carbonate?
The InChIKey is SGGOQYIOBGKDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-4-31-24(28)32-23-21(20-13-17(2)9-10-22(20)26-23)15-27-12-6-11-25(29,16-27)18-7-5-8-19(14-18)30-3/h5,7-10,13-14,26,29H,4,6,11-12,15-16H2,1-3H3.
What are the key properties of ethyl [3-[[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1H-indol-2-yl] carbonate?
ethyl [3-[[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1H-indol-2-yl] carbonate has a molecular weight of 438.52 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [3-[[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1H-indol-2-yl] carbonate is sourced from PubChem (CID 91429341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).