(6-methoxy-3-pyridinyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

C20H26N6O2 — CID 122344220

IUPAC(6-methoxy-3-pyridinyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ccnc(N4CCCCC4)n3)CC2)cn1
InChIInChI=1S/C20H26N6O2/c1-28-18-6-5-16(15-22-18)19(27)25-13-11-24(12-14-25)17-7-8-21-20(23-17)26-9-3-2-4-10-26/h5-8,15H,2-4,9-14H2,1H3
InChIKeyPLCUAYACUOUIBW-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.83
Rot. Bonds4

About (6-methoxy-3-pyridinyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

(6-methoxy-3-pyridinyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 122344220) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is (6-methoxy-3-pyridinyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-methoxy-3-pyridinyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID122344220
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name(6-methoxy-3-pyridinyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ccnc(N4CCCCC4)n3)CC2)cn1
InChIInChI=1S/C20H26N6O2/c1-28-18-6-5-16(15-22-18)19(27)25-13-11-24(12-14-25)17-7-8-21-20(23-17)26-9-3-2-4-10-26/h5-8,15H,2-4,9-14H2,1H3
InChIKeyPLCUAYACUOUIBW-UHFFFAOYSA-N
XLogP1.83
TPSA74.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (6-methoxy-3-pyridinyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(6-ethoxy-3-pyridinyl)-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343885
(6-methoxy-3-pyridinyl)-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343113
(6-methoxy-3-pyridinyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334454
(6-methoxy-3-pyridinyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342965
(5-bromo-3-pyridinyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344098
(3-fluoro-4-methylphenyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344165
(4-nitrophenyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344326
(5-methylpyrazin-2-yl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344221
(6-methoxy-3-pyridinyl)-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]methanone
CID 138382647
2,1,3-benzothiadiazol-5-yl-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344080
2-(4-methoxyphenoxy)-1-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122344107
(6-cyclopentyloxy-3-pyridinyl)-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333384

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-pyridinyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (6-methoxy-3-pyridinyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 122344220) is (6-methoxy-3-pyridinyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-methoxy-3-pyridinyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (6-methoxy-3-pyridinyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(c3ccnc(N4CCCCC4)n3)CC2)cn1.
What is the InChIKey of (6-methoxy-3-pyridinyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is PLCUAYACUOUIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-28-18-6-5-16(15-22-18)19(27)25-13-11-24(12-14-25)17-7-8-21-20(23-17)26-9-3-2-4-10-26/h5-8,15H,2-4,9-14H2,1H3.
What are the key properties of (6-methoxy-3-pyridinyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
(6-methoxy-3-pyridinyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 382.47 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-pyridinyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122344220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).