2,3-dihydroindol-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone

C19H22N4O — CID 109299032

IUPAC2,3-dihydroindol-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
SMILESCC1CCN(c2nccc(C(=O)N3CCc4ccccc43)n2)CC1
InChIInChI=1S/C19H22N4O/c1-14-7-11-22(12-8-14)19-20-10-6-16(21-19)18(24)23-13-9-15-4-2-3-5-17(15)23/h2-6,10,14H,7-9,11-13H2,1H3
InChIKeyAOQNYHWQLCJCJO-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.92
Rot. Bonds2

About 2,3-dihydroindol-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone

2,3-dihydroindol-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone (PubChem CID 109299032) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
PubChem CID109299032
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2,3-dihydroindol-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
SMILESCC1CCN(c2nccc(C(=O)N3CCc4ccccc43)n2)CC1
InChIInChI=1S/C19H22N4O/c1-14-7-11-22(12-8-14)19-20-10-6-16(21-19)18(24)23-13-9-15-4-2-3-5-17(15)23/h2-6,10,14H,7-9,11-13H2,1H3
InChIKeyAOQNYHWQLCJCJO-UHFFFAOYSA-N
XLogP2.92
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanone
CID 109250910
[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109298958
[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109095477
(2-methyl-2,3-dihydroindol-1-yl)-[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109309496
[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109081719
1-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 112885319
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109299007
2,3-dihydroindol-1-yl-(6-methyl-2-pyridinyl)methanone
CID 33315959
2,3-dihydroindol-1-yl-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone
CID 109308958
N-cyclopentyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109298035
2,3-dihydroindol-1-yl-[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]methanone
CID 109314535
2,3-dihydroindol-1-yl-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone
CID 109296005

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone (CID 109299032) is 2,3-dihydroindol-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone is CC1CCN(c2nccc(C(=O)N3CCc4ccccc43)n2)CC1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone?
The InChIKey is AOQNYHWQLCJCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-14-7-11-22(12-8-14)19-20-10-6-16(21-19)18(24)23-13-9-15-4-2-3-5-17(15)23/h2-6,10,14H,7-9,11-13H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone?
2,3-dihydroindol-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone has a molecular weight of 322.41 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109299032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).