1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one

C17H21N3O2 — CID 124972553

IUPAC1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one
SMILESCc1cnc([C@H]2CN(C(=O)CCc3ccccc3)CCO2)[nH]1
InChIInChI=1S/C17H21N3O2/c1-13-11-18-17(19-13)15-12-20(9-10-22-15)16(21)8-7-14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyKDVXWIFJZHALRV-OAHLLOKOSA-N
MW299.37 g/mol
LogP2.25
Rot. Bonds4

About 1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one

1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one (PubChem CID 124972553) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one
PubChem CID124972553
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one
SMILESCc1cnc([C@H]2CN(C(=O)CCc3ccccc3)CCO2)[nH]1
InChIInChI=1S/C17H21N3O2/c1-13-11-18-17(19-13)15-12-20(9-10-22-15)16(21)8-7-14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyKDVXWIFJZHALRV-OAHLLOKOSA-N
XLogP2.25
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124960617
3-(1H-indol-3-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one
CID 155899693
3-(2,3-dihydroindol-1-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one
CID 110105309
1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-naphthalen-2-ylethanone
CID 124995684
3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one
CID 125008071
2-cyclopropyl-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 73439823
1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 124975272
2-(4-methoxyphenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 124978039
1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-morpholin-4-ylethanone
CID 124953608
(2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(3-phenylpropyl)morpholine
CID 124987098
2-(2,3-dihydro-1H-inden-5-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 110105208
1-[2-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one
CID 125013405

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one (CID 124972553) is 1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one is Cc1cnc([C@H]2CN(C(=O)CCc3ccccc3)CCO2)[nH]1.
What is the InChIKey of 1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one?
The InChIKey is KDVXWIFJZHALRV-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13-11-18-17(19-13)15-12-20(9-10-22-15)16(21)8-7-14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,18,19)/t15-/m1/s1.
What are the key properties of 1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one?
1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one has a molecular weight of 299.37 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 124972553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).