1-(4-ethylpiperazin-1-yl)-2-[(3-methyl-1-morpholin-4-ylbutan-2-yl)amino]propan-1-one

C18H36N4O2 — CID 75457220

IUPAC1-(4-ethylpiperazin-1-yl)-2-[(3-methyl-1-morpholin-4-ylbutan-2-yl)amino]propan-1-one
SMILESCCN1CCN(C(=O)C(C)NC(CN2CCOCC2)C(C)C)CC1
InChIInChI=1S/C18H36N4O2/c1-5-20-6-8-22(9-7-20)18(23)16(4)19-17(15(2)3)14-21-10-12-24-13-11-21/h15-17,19H,5-14H2,1-4H3
InChIKeySIJXCTCWOKJYEQ-UHFFFAOYSA-N
MW340.51 g/mol
LogP0.49
Rot. Bonds7

About 1-(4-ethylpiperazin-1-yl)-2-[(3-methyl-1-morpholin-4-ylbutan-2-yl)amino]propan-1-one

1-(4-ethylpiperazin-1-yl)-2-[(3-methyl-1-morpholin-4-ylbutan-2-yl)amino]propan-1-one (PubChem CID 75457220) has the molecular formula C18H36N4O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-[(3-methyl-1-morpholin-4-ylbutan-2-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-[(3-methyl-1-morpholin-4-ylbutan-2-yl)amino]propan-1-one
PubChem CID75457220
Molecular FormulaC18H36N4O2
Molecular Weight340.51 g/mol
Exact Mass340.28
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-[(3-methyl-1-morpholin-4-ylbutan-2-yl)amino]propan-1-one
SMILESCCN1CCN(C(=O)C(C)NC(CN2CCOCC2)C(C)C)CC1
InChIInChI=1S/C18H36N4O2/c1-5-20-6-8-22(9-7-20)18(23)16(4)19-17(15(2)3)14-21-10-12-24-13-11-21/h15-17,19H,5-14H2,1-4H3
InChIKeySIJXCTCWOKJYEQ-UHFFFAOYSA-N
XLogP0.49
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[(3-methyl-1-morpholin-4-ylbutan-2-yl)amino]propan-1-one?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[(3-methyl-1-morpholin-4-ylbutan-2-yl)amino]propan-1-one (CID 75457220) is 1-(4-ethylpiperazin-1-yl)-2-[(3-methyl-1-morpholin-4-ylbutan-2-yl)amino]propan-1-one.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-[(3-methyl-1-morpholin-4-ylbutan-2-yl)amino]propan-1-one?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-[(3-methyl-1-morpholin-4-ylbutan-2-yl)amino]propan-1-one is CCN1CCN(C(=O)C(C)NC(CN2CCOCC2)C(C)C)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-[(3-methyl-1-morpholin-4-ylbutan-2-yl)amino]propan-1-one?
The InChIKey is SIJXCTCWOKJYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O2/c1-5-20-6-8-22(9-7-20)18(23)16(4)19-17(15(2)3)14-21-10-12-24-13-11-21/h15-17,19H,5-14H2,1-4H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-[(3-methyl-1-morpholin-4-ylbutan-2-yl)amino]propan-1-one?
1-(4-ethylpiperazin-1-yl)-2-[(3-methyl-1-morpholin-4-ylbutan-2-yl)amino]propan-1-one has a molecular weight of 340.51 g/mol, XLogP of 0.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-[(3-methyl-1-morpholin-4-ylbutan-2-yl)amino]propan-1-one is sourced from PubChem (CID 75457220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).