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

C17H27N5O3 — CID 48558781

IUPAC1-(2-ethylmorpholin-4-yl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
SMILESCCC1CN(C(=O)CN2CCN(c3nccc(OC)n3)CC2)CCO1
InChIInChI=1S/C17H27N5O3/c1-3-14-12-22(10-11-25-14)16(23)13-20-6-8-21(9-7-20)17-18-5-4-15(19-17)24-2/h4-5,14H,3,6-13H2,1-2H3
InChIKeyAKEACJQFYVLDEH-UHFFFAOYSA-N
MW349.44 g/mol
LogP0.24
Rot. Bonds5

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

1-(2-ethylmorpholin-4-yl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone (PubChem CID 48558781) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-(2-ethylmorpholin-4-yl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2-ethylmorpholin-4-yl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
PubChem CID48558781
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name1-(2-ethylmorpholin-4-yl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
SMILESCCC1CN(C(=O)CN2CCN(c3nccc(OC)n3)CC2)CCO1
InChIInChI=1S/C17H27N5O3/c1-3-14-12-22(10-11-25-14)16(23)13-20-6-8-21(9-7-20)17-18-5-4-15(19-17)24-2/h4-5,14H,3,6-13H2,1-2H3
InChIKeyAKEACJQFYVLDEH-UHFFFAOYSA-N
XLogP0.24
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylmorpholin-4-yl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(2-ethylmorpholin-4-yl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone (CID 48558781) is 1-(2-ethylmorpholin-4-yl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(2-ethylmorpholin-4-yl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(2-ethylmorpholin-4-yl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone is CCC1CN(C(=O)CN2CCN(c3nccc(OC)n3)CC2)CCO1.
What is the InChIKey of 1-(2-ethylmorpholin-4-yl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone?
The InChIKey is AKEACJQFYVLDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-3-14-12-22(10-11-25-14)16(23)13-20-6-8-21(9-7-20)17-18-5-4-15(19-17)24-2/h4-5,14H,3,6-13H2,1-2H3.
What are the key properties of 1-(2-ethylmorpholin-4-yl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone?
1-(2-ethylmorpholin-4-yl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 349.44 g/mol, XLogP of 0.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylmorpholin-4-yl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 48558781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).