2-[(3-methylimidazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one

C12H20N4O2 — CID 112690593

IUPAC2-[(3-methylimidazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one
SMILESCC(NCc1cncn1C)C(=O)N1CCOCC1
InChIInChI=1S/C12H20N4O2/c1-10(12(17)16-3-5-18-6-4-16)14-8-11-7-13-9-15(11)2/h7,9-10,14H,3-6,8H2,1-2H3
InChIKeyKBRWBKBHKKLXAR-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.24
Rot. Bonds4

About 2-[(3-methylimidazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one

2-[(3-methylimidazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one (PubChem CID 112690593) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[(3-methylimidazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[(3-methylimidazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one
PubChem CID112690593
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-[(3-methylimidazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one
SMILESCC(NCc1cncn1C)C(=O)N1CCOCC1
InChIInChI=1S/C12H20N4O2/c1-10(12(17)16-3-5-18-6-4-16)14-8-11-7-13-9-15(11)2/h7,9-10,14H,3-6,8H2,1-2H3
InChIKeyKBRWBKBHKKLXAR-UHFFFAOYSA-N
XLogP-0.24
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(3-methylimidazol-4-yl)methylamino]propanoic acid
CID 83193799
2-(1H-imidazol-5-ylmethylamino)-1-morpholin-4-ylpropan-1-one
CID 112690595
1-piperidin-1-yl-2-[(3-propylimidazol-4-yl)methylamino]propan-1-one
CID 66130168
2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 106371542
2-[(4-fluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 43083712
(2R)-1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-2-[(3-methylimidazol-4-yl)methylamino]pentan-1-one
CID 124556785
4-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]benzamide
CID 115569779
2-[(5-chlorofuran-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 112683112
2-[(3-methylimidazol-4-yl)methylamino]propan-1-ol
CID 66117228
1-(azepan-1-yl)-2-(1,3-thiazol-5-ylmethylamino)propan-1-one
CID 104589380
2-[(2,5-dimethylthiophen-3-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115663838
2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one
CID 115621805

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylimidazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[(3-methylimidazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one (CID 112690593) is 2-[(3-methylimidazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[(3-methylimidazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[(3-methylimidazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one is CC(NCc1cncn1C)C(=O)N1CCOCC1.
What is the InChIKey of 2-[(3-methylimidazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is KBRWBKBHKKLXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-10(12(17)16-3-5-18-6-4-16)14-8-11-7-13-9-15(11)2/h7,9-10,14H,3-6,8H2,1-2H3.
What are the key properties of 2-[(3-methylimidazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one?
2-[(3-methylimidazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 252.32 g/mol, XLogP of -0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylimidazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 112690593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).