1-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole

C19H24N4 — CID 112900939

IUPAC1-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
SMILESCCC1CCCCN1c1nccc(N2CCc3ccccc32)n1
InChIInChI=1S/C19H24N4/c1-2-16-8-5-6-13-22(16)19-20-12-10-18(21-19)23-14-11-15-7-3-4-9-17(15)23/h3-4,7,9-10,12,16H,2,5-6,8,11,13-14H2,1H3
InChIKeyWHNKCKKULHQZNK-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.94
Rot. Bonds3

About 1-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole

1-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole (PubChem CID 112900939) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
PubChem CID112900939
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC Name1-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
SMILESCCC1CCCCN1c1nccc(N2CCc3ccccc32)n1
InChIInChI=1S/C19H24N4/c1-2-16-8-5-6-13-22(16)19-20-12-10-18(21-19)23-14-11-15-7-3-4-9-17(15)23/h3-4,7,9-10,12,16H,2,5-6,8,11,13-14H2,1H3
InChIKeyWHNKCKKULHQZNK-UHFFFAOYSA-N
XLogP3.94
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112894230
1-(2-pyrrolidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
CID 112884067
1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
CID 112888146
2-(2-ethylpiperidin-1-yl)-4-(3-methylpiperidin-1-yl)pyrimidine
CID 112900933
2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 107553615
N-ethyl-2-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-4-amine
CID 112900941
2-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 116796494
1-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 112885319
[2-(2-ethylazepan-1-yl)pyrimidin-4-yl]methanamine
CID 107542232
N-benzyl-2-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 112890842
2-[2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112920326
1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole
CID 22731926

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole?
The IUPAC name of 1-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole (CID 112900939) is 1-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole.
What is the SMILES notation for 1-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole?
The canonical SMILES for 1-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole is CCC1CCCCN1c1nccc(N2CCc3ccccc32)n1.
What is the InChIKey of 1-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole?
The InChIKey is WHNKCKKULHQZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4/c1-2-16-8-5-6-13-22(16)19-20-12-10-18(21-19)23-14-11-15-7-3-4-9-17(15)23/h3-4,7,9-10,12,16H,2,5-6,8,11,13-14H2,1H3.
What are the key properties of 1-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole?
1-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole has a molecular weight of 308.43 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole is sourced from PubChem (CID 112900939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).