2-(4-ethylpiperazin-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide

C17H28N6O2 — CID 70762772

IUPAC2-(4-ethylpiperazin-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide
SMILESCCN1CCN(CC(=O)NCc2cc(N3CCOCC3)ncn2)CC1
InChIInChI=1S/C17H28N6O2/c1-2-21-3-5-22(6-4-21)13-17(24)18-12-15-11-16(20-14-19-15)23-7-9-25-10-8-23/h11,14H,2-10,12-13H2,1H3,(H,18,24)
InChIKeyQWSITVGPYHLHKI-UHFFFAOYSA-N
MW348.45 g/mol
LogP-0.43
Rot. Bonds6

About 2-(4-ethylpiperazin-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide

2-(4-ethylpiperazin-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide (PubChem CID 70762772) has the molecular formula C17H28N6O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide
PubChem CID70762772
Molecular FormulaC17H28N6O2
Molecular Weight348.45 g/mol
Exact Mass348.23
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide
SMILESCCN1CCN(CC(=O)NCc2cc(N3CCOCC3)ncn2)CC1
InChIInChI=1S/C17H28N6O2/c1-2-21-3-5-22(6-4-21)13-17(24)18-12-15-11-16(20-14-19-15)23-7-9-25-10-8-23/h11,14H,2-10,12-13H2,1H3,(H,18,24)
InChIKeyQWSITVGPYHLHKI-UHFFFAOYSA-N
XLogP-0.43
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide (CID 70762772) is 2-(4-ethylpiperazin-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide is CCN1CCN(CC(=O)NCc2cc(N3CCOCC3)ncn2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide?
The InChIKey is QWSITVGPYHLHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O2/c1-2-21-3-5-22(6-4-21)13-17(24)18-12-15-11-16(20-14-19-15)23-7-9-25-10-8-23/h11,14H,2-10,12-13H2,1H3,(H,18,24).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide?
2-(4-ethylpiperazin-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide has a molecular weight of 348.45 g/mol, XLogP of -0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide is sourced from PubChem (CID 70762772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).