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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Related Compounds

4-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]oxy-1H-indole
CID 126951673
1-[2-[4-(1H-indol-4-yloxy)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 126951691
4-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1,3-oxazole
CID 126951645
4-[1-(pyrimidin-4-ylmethyl)piperidin-4-yl]oxy-1H-indole
CID 126951608
5-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 126951612
4-[1-(1,4-dioxepan-6-ylmethyl)piperidin-4-yl]oxy-1H-indole
CID 126951709
4-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]oxy-1H-indole
CID 126951596
5-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126951620
4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]oxy-1H-indole
CID 126951530
2-[4-(1H-indol-4-yloxy)piperidin-1-yl]cyclobutan-1-ol
CID 126951743
2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,3-thiazole
CID 126951506
6-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 126951563

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).