1-(4-acetylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone

C18H27N5O3 — CID 53189259

IUPAC1-(4-acetylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone
SMILESCOc1nccc(N2CCC(CC(=O)N3CCN(C(C)=O)CC3)CC2)n1
InChIInChI=1S/C18H27N5O3/c1-14(24)21-9-11-23(12-10-21)17(25)13-15-4-7-22(8-5-15)16-3-6-19-18(20-16)26-2/h3,6,15H,4-5,7-13H2,1-2H3
InChIKeyFFELURVVZOZSOK-UHFFFAOYSA-N
MW361.45 g/mol
LogP0.78
Rot. Bonds4

About 1-(4-acetylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone

1-(4-acetylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone (PubChem CID 53189259) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone
PubChem CID53189259
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone
SMILESCOc1nccc(N2CCC(CC(=O)N3CCN(C(C)=O)CC3)CC2)n1
InChIInChI=1S/C18H27N5O3/c1-14(24)21-9-11-23(12-10-21)17(25)13-15-4-7-22(8-5-15)16-3-6-19-18(20-16)26-2/h3,6,15H,4-5,7-13H2,1-2H3
InChIKeyFFELURVVZOZSOK-UHFFFAOYSA-N
XLogP0.78
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone (CID 53189259) is 1-(4-acetylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone is COc1nccc(N2CCC(CC(=O)N3CCN(C(C)=O)CC3)CC2)n1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone?
The InChIKey is FFELURVVZOZSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-14(24)21-9-11-23(12-10-21)17(25)13-15-4-7-22(8-5-15)16-3-6-19-18(20-16)26-2/h3,6,15H,4-5,7-13H2,1-2H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone?
1-(4-acetylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone has a molecular weight of 361.45 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone is sourced from PubChem (CID 53189259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).