2-(1H-imidazol-5-ylmethylamino)-1-morpholin-4-ylpropan-1-one

C11H18N4O2 — CID 112690595

IUPAC2-(1H-imidazol-5-ylmethylamino)-1-morpholin-4-ylpropan-1-one
SMILESCC(NCc1cnc[nH]1)C(=O)N1CCOCC1
InChIInChI=1S/C11H18N4O2/c1-9(13-7-10-6-12-8-14-10)11(16)15-2-4-17-5-3-15/h6,8-9,13H,2-5,7H2,1H3,(H,12,14)
InChIKeySTSUEFUTXIHWFE-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.25
Rot. Bonds4

About 2-(1H-imidazol-5-ylmethylamino)-1-morpholin-4-ylpropan-1-one

2-(1H-imidazol-5-ylmethylamino)-1-morpholin-4-ylpropan-1-one (PubChem CID 112690595) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(1H-imidazol-5-ylmethylamino)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-(1H-imidazol-5-ylmethylamino)-1-morpholin-4-ylpropan-1-one
PubChem CID112690595
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-(1H-imidazol-5-ylmethylamino)-1-morpholin-4-ylpropan-1-one
SMILESCC(NCc1cnc[nH]1)C(=O)N1CCOCC1
InChIInChI=1S/C11H18N4O2/c1-9(13-7-10-6-12-8-14-10)11(16)15-2-4-17-5-3-15/h6,8-9,13H,2-5,7H2,1H3,(H,12,14)
InChIKeySTSUEFUTXIHWFE-UHFFFAOYSA-N
XLogP-0.25
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methylimidazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 112690593
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1H-imidazole-5-sulfonamide
CID 112692305
2-[(4-fluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 43083712
2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 106371542
2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one
CID 115621805
2-[(5-chlorofuran-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 112683112
4-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]benzamide
CID 115569779
2-[(2,5-dimethylthiophen-3-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115663838
2-[(3-chloro-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115653757
2-[(4-bromo-5-methylthiophen-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 102837335
2-[(4-ethoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115593323
(2R)-2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 97230401

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-ylmethylamino)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-(1H-imidazol-5-ylmethylamino)-1-morpholin-4-ylpropan-1-one (CID 112690595) is 2-(1H-imidazol-5-ylmethylamino)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-(1H-imidazol-5-ylmethylamino)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-(1H-imidazol-5-ylmethylamino)-1-morpholin-4-ylpropan-1-one is CC(NCc1cnc[nH]1)C(=O)N1CCOCC1.
What is the InChIKey of 2-(1H-imidazol-5-ylmethylamino)-1-morpholin-4-ylpropan-1-one?
The InChIKey is STSUEFUTXIHWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-9(13-7-10-6-12-8-14-10)11(16)15-2-4-17-5-3-15/h6,8-9,13H,2-5,7H2,1H3,(H,12,14).
What are the key properties of 2-(1H-imidazol-5-ylmethylamino)-1-morpholin-4-ylpropan-1-one?
2-(1H-imidazol-5-ylmethylamino)-1-morpholin-4-ylpropan-1-one has a molecular weight of 238.29 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-ylmethylamino)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 112690595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).