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

C14H24N4O2 — CID 95341693

IUPAC1-morpholin-4-yl-3-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]propan-1-one
SMILESC[C@H]([C@@H](C)NCCC(=O)N1CCOCC1)n1cccn1
InChIInChI=1S/C14H24N4O2/c1-12(13(2)18-7-3-5-16-18)15-6-4-14(19)17-8-10-20-11-9-17/h3,5,7,12-13,15H,4,6,8-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyWWHPYIIWBHVEBL-CHWSQXEVSA-N
MW280.37 g/mol
LogP0.67
Rot. Bonds6

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

1-morpholin-4-yl-3-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]propan-1-one (PubChem CID 95341693) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]propan-1-one
PubChem CID95341693
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-morpholin-4-yl-3-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]propan-1-one
SMILESC[C@H]([C@@H](C)NCCC(=O)N1CCOCC1)n1cccn1
InChIInChI=1S/C14H24N4O2/c1-12(13(2)18-7-3-5-16-18)15-6-4-14(19)17-8-10-20-11-9-17/h3,5,7,12-13,15H,4,6,8-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyWWHPYIIWBHVEBL-CHWSQXEVSA-N
XLogP0.67
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]propan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]propan-1-one (CID 95341693) is 1-morpholin-4-yl-3-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]propan-1-one is C[C@H]([C@@H](C)NCCC(=O)N1CCOCC1)n1cccn1.
What is the InChIKey of 1-morpholin-4-yl-3-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]propan-1-one?
The InChIKey is WWHPYIIWBHVEBL-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-12(13(2)18-7-3-5-16-18)15-6-4-14(19)17-8-10-20-11-9-17/h3,5,7,12-13,15H,4,6,8-11H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of 1-morpholin-4-yl-3-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]propan-1-one?
1-morpholin-4-yl-3-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]propan-1-one has a molecular weight of 280.37 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]propan-1-one is sourced from PubChem (CID 95341693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).