[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone

C21H24N4O3 — CID 122257934

IUPAC[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)N3CCCC(Oc4nc(C)cc(C)n4)C3)[nH]c2c1
InChIInChI=1S/C21H24N4O3/c1-13-9-14(2)23-21(22-13)28-17-5-4-8-25(12-17)20(26)19-10-15-6-7-16(27-3)11-18(15)24-19/h6-7,9-11,17,24H,4-5,8,12H2,1-3H3
InChIKeyQFHJCVLRVITAMP-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.27
Rot. Bonds4

About [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone

[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone (PubChem CID 122257934) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
PubChem CID122257934
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)N3CCCC(Oc4nc(C)cc(C)n4)C3)[nH]c2c1
InChIInChI=1S/C21H24N4O3/c1-13-9-14(2)23-21(22-13)28-17-5-4-8-25(12-17)20(26)19-10-15-6-7-16(27-3)11-18(15)24-19/h6-7,9-11,17,24H,4-5,8,12H2,1-3H3
InChIKeyQFHJCVLRVITAMP-UHFFFAOYSA-N
XLogP3.27
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone?
The IUPAC name of [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone (CID 122257934) is [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone?
The canonical SMILES for [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone is COc1ccc2cc(C(=O)N3CCCC(Oc4nc(C)cc(C)n4)C3)[nH]c2c1.
What is the InChIKey of [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone?
The InChIKey is QFHJCVLRVITAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-13-9-14(2)23-21(22-13)28-17-5-4-8-25(12-17)20(26)19-10-15-6-7-16(27-3)11-18(15)24-19/h6-7,9-11,17,24H,4-5,8,12H2,1-3H3.
What are the key properties of [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone?
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone has a molecular weight of 380.45 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 122257934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).