4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]oxy-1H-indole

C18H22N4O — CID 126951523

IUPAC4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]oxy-1H-indole
SMILESc1cc(OC2CCN(CCn3cccn3)CC2)c2cc[nH]c2c1
InChIInChI=1S/C18H22N4O/c1-3-17-16(5-9-19-17)18(4-1)23-15-6-11-21(12-7-15)13-14-22-10-2-8-20-22/h1-5,8-10,15,19H,6-7,11-14H2
InChIKeyFMCMGFJRIHPCGA-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.91
Rot. Bonds5

About 4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]oxy-1H-indole

4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]oxy-1H-indole (PubChem CID 126951523) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]oxy-1H-indole.

Molecular Properties

Compound Name4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]oxy-1H-indole
PubChem CID126951523
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]oxy-1H-indole
SMILESc1cc(OC2CCN(CCn3cccn3)CC2)c2cc[nH]c2c1
InChIInChI=1S/C18H22N4O/c1-3-17-16(5-9-19-17)18(4-1)23-15-6-11-21(12-7-15)13-14-22-10-2-8-20-22/h1-5,8-10,15,19H,6-7,11-14H2
InChIKeyFMCMGFJRIHPCGA-UHFFFAOYSA-N
XLogP2.91
TPSA46.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]oxy-1H-indole?
The IUPAC name of 4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]oxy-1H-indole (CID 126951523) is 4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]oxy-1H-indole.
What is the SMILES notation for 4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]oxy-1H-indole?
The canonical SMILES for 4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]oxy-1H-indole is c1cc(OC2CCN(CCn3cccn3)CC2)c2cc[nH]c2c1.
What is the InChIKey of 4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]oxy-1H-indole?
The InChIKey is FMCMGFJRIHPCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-3-17-16(5-9-19-17)18(4-1)23-15-6-11-21(12-7-15)13-14-22-10-2-8-20-22/h1-5,8-10,15,19H,6-7,11-14H2.
What are the key properties of 4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]oxy-1H-indole?
4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]oxy-1H-indole has a molecular weight of 310.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]oxy-1H-indole is sourced from PubChem (CID 126951523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).