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

C18H36N4O2 — CID 97307362

IUPAC(2R)-1-(4-ethylpiperazin-1-yl)-2-[[(2R)-3-methyl-1-morpholin-4-ylbutan-2-yl]amino]propan-1-one
SMILESCCN1CCN(C(=O)[C@@H](C)N[C@@H](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/t16-,17+/m1/s1
InChIKeySIJXCTCWOKJYEQ-SJORKVTESA-N
MW340.51 g/mol
LogP0.49
Rot. Bonds7

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

(2R)-1-(4-ethylpiperazin-1-yl)-2-[[(2R)-3-methyl-1-morpholin-4-ylbutan-2-yl]amino]propan-1-one (PubChem CID 97307362) has the molecular formula C18H36N4O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is (2R)-1-(4-ethylpiperazin-1-yl)-2-[[(2R)-3-methyl-1-morpholin-4-ylbutan-2-yl]amino]propan-1-one.

Molecular Properties

Compound Name(2R)-1-(4-ethylpiperazin-1-yl)-2-[[(2R)-3-methyl-1-morpholin-4-ylbutan-2-yl]amino]propan-1-one
PubChem CID97307362
Molecular FormulaC18H36N4O2
Molecular Weight340.51 g/mol
Exact Mass340.28
IUPAC Name(2R)-1-(4-ethylpiperazin-1-yl)-2-[[(2R)-3-methyl-1-morpholin-4-ylbutan-2-yl]amino]propan-1-one
SMILESCCN1CCN(C(=O)[C@@H](C)N[C@@H](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/t16-,17+/m1/s1
InChIKeySIJXCTCWOKJYEQ-SJORKVTESA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-ethylpiperazin-1-yl)-2-[[(2R)-3-methyl-1-morpholin-4-ylbutan-2-yl]amino]propan-1-one?
The IUPAC name of (2R)-1-(4-ethylpiperazin-1-yl)-2-[[(2R)-3-methyl-1-morpholin-4-ylbutan-2-yl]amino]propan-1-one (CID 97307362) is (2R)-1-(4-ethylpiperazin-1-yl)-2-[[(2R)-3-methyl-1-morpholin-4-ylbutan-2-yl]amino]propan-1-one.
What is the SMILES notation for (2R)-1-(4-ethylpiperazin-1-yl)-2-[[(2R)-3-methyl-1-morpholin-4-ylbutan-2-yl]amino]propan-1-one?
The canonical SMILES for (2R)-1-(4-ethylpiperazin-1-yl)-2-[[(2R)-3-methyl-1-morpholin-4-ylbutan-2-yl]amino]propan-1-one is CCN1CCN(C(=O)[C@@H](C)N[C@@H](CN2CCOCC2)C(C)C)CC1.
What is the InChIKey of (2R)-1-(4-ethylpiperazin-1-yl)-2-[[(2R)-3-methyl-1-morpholin-4-ylbutan-2-yl]amino]propan-1-one?
The InChIKey is SIJXCTCWOKJYEQ-SJORKVTESA-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/t16-,17+/m1/s1.
What are the key properties of (2R)-1-(4-ethylpiperazin-1-yl)-2-[[(2R)-3-methyl-1-morpholin-4-ylbutan-2-yl]amino]propan-1-one?
(2R)-1-(4-ethylpiperazin-1-yl)-2-[[(2R)-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 (2R)-1-(4-ethylpiperazin-1-yl)-2-[[(2R)-3-methyl-1-morpholin-4-ylbutan-2-yl]amino]propan-1-one is sourced from PubChem (CID 97307362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).