1-(2-methoxyethyl)-4-(1-pyrimidin-4-ylpiperidin-4-yl)oxyindole

C20H24N4O2 — CID 126952266

IUPAC1-(2-methoxyethyl)-4-(1-pyrimidin-4-ylpiperidin-4-yl)oxyindole
SMILESCOCCn1ccc2c(OC3CCN(c4ccncn4)CC3)cccc21
InChIInChI=1S/C20H24N4O2/c1-25-14-13-23-12-8-17-18(23)3-2-4-19(17)26-16-6-10-24(11-7-16)20-5-9-21-15-22-20/h2-5,8-9,12,15-16H,6-7,10-11,13-14H2,1H3
InChIKeyGTZGEQIDLOVZAL-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.13
Rot. Bonds6

About 1-(2-methoxyethyl)-4-(1-pyrimidin-4-ylpiperidin-4-yl)oxyindole

1-(2-methoxyethyl)-4-(1-pyrimidin-4-ylpiperidin-4-yl)oxyindole (PubChem CID 126952266) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-(1-pyrimidin-4-ylpiperidin-4-yl)oxyindole.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-(1-pyrimidin-4-ylpiperidin-4-yl)oxyindole
PubChem CID126952266
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-(2-methoxyethyl)-4-(1-pyrimidin-4-ylpiperidin-4-yl)oxyindole
SMILESCOCCn1ccc2c(OC3CCN(c4ccncn4)CC3)cccc21
InChIInChI=1S/C20H24N4O2/c1-25-14-13-23-12-8-17-18(23)3-2-4-19(17)26-16-6-10-24(11-7-16)20-5-9-21-15-22-20/h2-5,8-9,12,15-16H,6-7,10-11,13-14H2,1H3
InChIKeyGTZGEQIDLOVZAL-UHFFFAOYSA-N
XLogP3.13
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-(1-pyrimidin-4-ylpiperidin-4-yl)oxyindole?
The IUPAC name of 1-(2-methoxyethyl)-4-(1-pyrimidin-4-ylpiperidin-4-yl)oxyindole (CID 126952266) is 1-(2-methoxyethyl)-4-(1-pyrimidin-4-ylpiperidin-4-yl)oxyindole.
What is the SMILES notation for 1-(2-methoxyethyl)-4-(1-pyrimidin-4-ylpiperidin-4-yl)oxyindole?
The canonical SMILES for 1-(2-methoxyethyl)-4-(1-pyrimidin-4-ylpiperidin-4-yl)oxyindole is COCCn1ccc2c(OC3CCN(c4ccncn4)CC3)cccc21.
What is the InChIKey of 1-(2-methoxyethyl)-4-(1-pyrimidin-4-ylpiperidin-4-yl)oxyindole?
The InChIKey is GTZGEQIDLOVZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-25-14-13-23-12-8-17-18(23)3-2-4-19(17)26-16-6-10-24(11-7-16)20-5-9-21-15-22-20/h2-5,8-9,12,15-16H,6-7,10-11,13-14H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-4-(1-pyrimidin-4-ylpiperidin-4-yl)oxyindole?
1-(2-methoxyethyl)-4-(1-pyrimidin-4-ylpiperidin-4-yl)oxyindole has a molecular weight of 352.44 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-(1-pyrimidin-4-ylpiperidin-4-yl)oxyindole is sourced from PubChem (CID 126952266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).