2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

C17H27N5O2 — CID 47073311

IUPAC2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCOc1ccnc(N2CCN(CC(=O)N3CCC(C)CC3)CC2)n1
InChIInChI=1S/C17H27N5O2/c1-14-4-7-21(8-5-14)16(23)13-20-9-11-22(12-10-20)17-18-6-3-15(19-17)24-2/h3,6,14H,4-5,7-13H2,1-2H3
InChIKeyFTMYDUZXYQAOCI-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.87
Rot. Bonds4

About 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 47073311) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID47073311
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCOc1ccnc(N2CCN(CC(=O)N3CCC(C)CC3)CC2)n1
InChIInChI=1S/C17H27N5O2/c1-14-4-7-21(8-5-14)16(23)13-20-9-11-22(12-10-20)17-18-6-3-15(19-17)24-2/h3,6,14H,4-5,7-13H2,1-2H3
InChIKeyFTMYDUZXYQAOCI-UHFFFAOYSA-N
XLogP0.87
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (CID 47073311) is 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is COc1ccnc(N2CCN(CC(=O)N3CCC(C)CC3)CC2)n1.
What is the InChIKey of 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is FTMYDUZXYQAOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-14-4-7-21(8-5-14)16(23)13-20-9-11-22(12-10-20)17-18-6-3-15(19-17)24-2/h3,6,14H,4-5,7-13H2,1-2H3.
What are the key properties of 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 333.44 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 47073311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).