ethyl [7-hydroxy-4-[4-(4-methylpiperidin-1-yl)butanoyl]-1H-indol-2-yl] carbonate

C21H28N2O5 — CID 70389662

IUPACethyl [7-hydroxy-4-[4-(4-methylpiperidin-1-yl)butanoyl]-1H-indol-2-yl] carbonate
SMILESCCOC(=O)Oc1cc2c(C(=O)CCCN3CCC(C)CC3)ccc(O)c2[nH]1
InChIInChI=1S/C21H28N2O5/c1-3-27-21(26)28-19-13-16-15(6-7-18(25)20(16)22-19)17(24)5-4-10-23-11-8-14(2)9-12-23/h6-7,13-14,22,25H,3-5,8-12H2,1-2H3
InChIKeyVJUKORNSVZUZPA-UHFFFAOYSA-N
MW388.46 g/mol
LogP4.10
Rot. Bonds7

About ethyl [7-hydroxy-4-[4-(4-methylpiperidin-1-yl)butanoyl]-1H-indol-2-yl] carbonate

ethyl [7-hydroxy-4-[4-(4-methylpiperidin-1-yl)butanoyl]-1H-indol-2-yl] carbonate (PubChem CID 70389662) has the molecular formula C21H28N2O5 and a molecular weight of 388.46 g/mol. Its IUPAC name is ethyl [7-hydroxy-4-[4-(4-methylpiperidin-1-yl)butanoyl]-1H-indol-2-yl] carbonate.

Molecular Properties

Compound Nameethyl [7-hydroxy-4-[4-(4-methylpiperidin-1-yl)butanoyl]-1H-indol-2-yl] carbonate
PubChem CID70389662
Molecular FormulaC21H28N2O5
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC Nameethyl [7-hydroxy-4-[4-(4-methylpiperidin-1-yl)butanoyl]-1H-indol-2-yl] carbonate
SMILESCCOC(=O)Oc1cc2c(C(=O)CCCN3CCC(C)CC3)ccc(O)c2[nH]1
InChIInChI=1S/C21H28N2O5/c1-3-27-21(26)28-19-13-16-15(6-7-18(25)20(16)22-19)17(24)5-4-10-23-11-8-14(2)9-12-23/h6-7,13-14,22,25H,3-5,8-12H2,1-2H3
InChIKeyVJUKORNSVZUZPA-UHFFFAOYSA-N
XLogP4.10
TPSA91.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl [7-hydroxy-4-[4-(4-methylpiperidin-1-yl)butanoyl]-1H-indol-2-yl] carbonate?
The IUPAC name of ethyl [7-hydroxy-4-[4-(4-methylpiperidin-1-yl)butanoyl]-1H-indol-2-yl] carbonate (CID 70389662) is ethyl [7-hydroxy-4-[4-(4-methylpiperidin-1-yl)butanoyl]-1H-indol-2-yl] carbonate.
What is the SMILES notation for ethyl [7-hydroxy-4-[4-(4-methylpiperidin-1-yl)butanoyl]-1H-indol-2-yl] carbonate?
The canonical SMILES for ethyl [7-hydroxy-4-[4-(4-methylpiperidin-1-yl)butanoyl]-1H-indol-2-yl] carbonate is CCOC(=O)Oc1cc2c(C(=O)CCCN3CCC(C)CC3)ccc(O)c2[nH]1.
What is the InChIKey of ethyl [7-hydroxy-4-[4-(4-methylpiperidin-1-yl)butanoyl]-1H-indol-2-yl] carbonate?
The InChIKey is VJUKORNSVZUZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5/c1-3-27-21(26)28-19-13-16-15(6-7-18(25)20(16)22-19)17(24)5-4-10-23-11-8-14(2)9-12-23/h6-7,13-14,22,25H,3-5,8-12H2,1-2H3.
What are the key properties of ethyl [7-hydroxy-4-[4-(4-methylpiperidin-1-yl)butanoyl]-1H-indol-2-yl] carbonate?
ethyl [7-hydroxy-4-[4-(4-methylpiperidin-1-yl)butanoyl]-1H-indol-2-yl] carbonate has a molecular weight of 388.46 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [7-hydroxy-4-[4-(4-methylpiperidin-1-yl)butanoyl]-1H-indol-2-yl] carbonate is sourced from PubChem (CID 70389662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).