1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol

C20H26N4O2 — CID 126807342

IUPAC1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol
SMILESCc1[nH]ncc1C1CCN(CC(O)COc2cccc3[nH]ccc23)CC1
InChIInChI=1S/C20H26N4O2/c1-14-18(11-22-23-14)15-6-9-24(10-7-15)12-16(25)13-26-20-4-2-3-19-17(20)5-8-21-19/h2-5,8,11,15-16,21,25H,6-7,9-10,12-13H2,1H3,(H,22,23)
InChIKeyVMYALKDAUGUIMK-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.82
Rot. Bonds6

About 1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol

1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol (PubChem CID 126807342) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol
PubChem CID126807342
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol
SMILESCc1[nH]ncc1C1CCN(CC(O)COc2cccc3[nH]ccc23)CC1
InChIInChI=1S/C20H26N4O2/c1-14-18(11-22-23-14)15-6-9-24(10-7-15)12-16(25)13-26-20-4-2-3-19-17(20)5-8-21-19/h2-5,8,11,15-16,21,25H,6-7,9-10,12-13H2,1H3,(H,22,23)
InChIKeyVMYALKDAUGUIMK-UHFFFAOYSA-N
XLogP2.82
TPSA77.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol (CID 126807342) is 1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol is Cc1[nH]ncc1C1CCN(CC(O)COc2cccc3[nH]ccc23)CC1.
What is the InChIKey of 1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol?
The InChIKey is VMYALKDAUGUIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14-18(11-22-23-14)15-6-9-24(10-7-15)12-16(25)13-26-20-4-2-3-19-17(20)5-8-21-19/h2-5,8,11,15-16,21,25H,6-7,9-10,12-13H2,1H3,(H,22,23).
What are the key properties of 1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol?
1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol has a molecular weight of 354.45 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 126807342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).