4-[[4-ethoxy-2-[4-(2H-tetrazol-5-yl)phenyl]piperidin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole

C25H30N6O2 — CID 90467199

IUPAC4-[[4-ethoxy-2-[4-(2H-tetrazol-5-yl)phenyl]piperidin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole
SMILESCCOC1CCN(Cc2c(OC)cc(C)c3[nH]ccc23)C(c2ccc(-c3nn[nH]n3)cc2)C1
InChIInChI=1S/C25H30N6O2/c1-4-33-19-10-12-31(15-21-20-9-11-26-24(20)16(2)13-23(21)32-3)22(14-19)17-5-7-18(8-6-17)25-27-29-30-28-25/h5-9,11,13,19,22,26H,4,10,12,14-15H2,1-3H3,(H,27,28,29,30)
InChIKeyZVINDOKATQVWPW-UHFFFAOYSA-N
MW446.56 g/mol
LogP4.41
Rot. Bonds7

About 4-[[4-ethoxy-2-[4-(2H-tetrazol-5-yl)phenyl]piperidin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole

4-[[4-ethoxy-2-[4-(2H-tetrazol-5-yl)phenyl]piperidin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole (PubChem CID 90467199) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 4-[[4-ethoxy-2-[4-(2H-tetrazol-5-yl)phenyl]piperidin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole.

Molecular Properties

Compound Name4-[[4-ethoxy-2-[4-(2H-tetrazol-5-yl)phenyl]piperidin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole
PubChem CID90467199
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name4-[[4-ethoxy-2-[4-(2H-tetrazol-5-yl)phenyl]piperidin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole
SMILESCCOC1CCN(Cc2c(OC)cc(C)c3[nH]ccc23)C(c2ccc(-c3nn[nH]n3)cc2)C1
InChIInChI=1S/C25H30N6O2/c1-4-33-19-10-12-31(15-21-20-9-11-26-24(20)16(2)13-23(21)32-3)22(14-19)17-5-7-18(8-6-17)25-27-29-30-28-25/h5-9,11,13,19,22,26H,4,10,12,14-15H2,1-3H3,(H,27,28,29,30)
InChIKeyZVINDOKATQVWPW-UHFFFAOYSA-N
XLogP4.41
TPSA91.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-ethoxy-2-[4-(2H-tetrazol-5-yl)phenyl]piperidin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole?
The IUPAC name of 4-[[4-ethoxy-2-[4-(2H-tetrazol-5-yl)phenyl]piperidin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole (CID 90467199) is 4-[[4-ethoxy-2-[4-(2H-tetrazol-5-yl)phenyl]piperidin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole.
What is the SMILES notation for 4-[[4-ethoxy-2-[4-(2H-tetrazol-5-yl)phenyl]piperidin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole?
The canonical SMILES for 4-[[4-ethoxy-2-[4-(2H-tetrazol-5-yl)phenyl]piperidin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole is CCOC1CCN(Cc2c(OC)cc(C)c3[nH]ccc23)C(c2ccc(-c3nn[nH]n3)cc2)C1.
What is the InChIKey of 4-[[4-ethoxy-2-[4-(2H-tetrazol-5-yl)phenyl]piperidin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole?
The InChIKey is ZVINDOKATQVWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-4-33-19-10-12-31(15-21-20-9-11-26-24(20)16(2)13-23(21)32-3)22(14-19)17-5-7-18(8-6-17)25-27-29-30-28-25/h5-9,11,13,19,22,26H,4,10,12,14-15H2,1-3H3,(H,27,28,29,30).
What are the key properties of 4-[[4-ethoxy-2-[4-(2H-tetrazol-5-yl)phenyl]piperidin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole?
4-[[4-ethoxy-2-[4-(2H-tetrazol-5-yl)phenyl]piperidin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole has a molecular weight of 446.56 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-ethoxy-2-[4-(2H-tetrazol-5-yl)phenyl]piperidin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole is sourced from PubChem (CID 90467199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).