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

C18H29N5O2 — CID 53189247

IUPAC1-(4-ethylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone
SMILESCCN1CCN(C(=O)CC2CCN(c3ccnc(OC)n3)CC2)CC1
InChIInChI=1S/C18H29N5O2/c1-3-21-10-12-23(13-11-21)17(24)14-15-5-8-22(9-6-15)16-4-7-19-18(20-16)25-2/h4,7,15H,3,5-6,8-14H2,1-2H3
InChIKeyARIMCGYIJCTYOQ-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.26
Rot. Bonds5

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

1-(4-ethylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone (PubChem CID 53189247) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone
PubChem CID53189247
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone
SMILESCCN1CCN(C(=O)CC2CCN(c3ccnc(OC)n3)CC2)CC1
InChIInChI=1S/C18H29N5O2/c1-3-21-10-12-23(13-11-21)17(24)14-15-5-8-22(9-6-15)16-4-7-19-18(20-16)25-2/h4,7,15H,3,5-6,8-14H2,1-2H3
InChIKeyARIMCGYIJCTYOQ-UHFFFAOYSA-N
XLogP1.26
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone (CID 53189247) is 1-(4-ethylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone is CCN1CCN(C(=O)CC2CCN(c3ccnc(OC)n3)CC2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone?
The InChIKey is ARIMCGYIJCTYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-3-21-10-12-23(13-11-21)17(24)14-15-5-8-22(9-6-15)16-4-7-19-18(20-16)25-2/h4,7,15H,3,5-6,8-14H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone?
1-(4-ethylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone has a molecular weight of 347.46 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone is sourced from PubChem (CID 53189247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).