1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-morpholin-4-ylethanone

C14H22N4O3 — CID 124953608

IUPAC1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-morpholin-4-ylethanone
SMILESCc1cnc([C@@H]2CN(C(=O)CN3CCOCC3)CCO2)[nH]1
InChIInChI=1S/C14H22N4O3/c1-11-8-15-14(16-11)12-9-18(4-7-21-12)13(19)10-17-2-5-20-6-3-17/h8,12H,2-7,9-10H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyDWIXFXWBKSBJQW-LBPRGKRZSA-N
MW294.35 g/mol
LogP-0.05
Rot. Bonds3

About 1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-morpholin-4-ylethanone

1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-morpholin-4-ylethanone (PubChem CID 124953608) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-morpholin-4-ylethanone
PubChem CID124953608
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-morpholin-4-ylethanone
SMILESCc1cnc([C@@H]2CN(C(=O)CN3CCOCC3)CCO2)[nH]1
InChIInChI=1S/C14H22N4O3/c1-11-8-15-14(16-11)12-9-18(4-7-21-12)13(19)10-17-2-5-20-6-3-17/h8,12H,2-7,9-10H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyDWIXFXWBKSBJQW-LBPRGKRZSA-N
XLogP-0.05
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-morpholin-4-ylethanone with MolForge

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Related Compounds

2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 124999280
2-cyclopropyl-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 73439823
1-[2-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one
CID 125013405
1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one
CID 124972553
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]-3-thiophen-2-ylpropan-1-one
CID 124960617
[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(1-methylpiperidin-4-yl)methanone
CID 124947783
[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone
CID 125016289
2-(5-methyl-1H-imidazol-2-yl)-4-(oxan-4-ylmethyl)morpholine
CID 110104945
2-(2,3-dihydro-1H-inden-5-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 110105208
1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-naphthalen-2-ylethanone
CID 124995684
[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 125010402

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-morpholin-4-ylethanone (CID 124953608) is 1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-morpholin-4-ylethanone is Cc1cnc([C@@H]2CN(C(=O)CN3CCOCC3)CCO2)[nH]1.
What is the InChIKey of 1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-morpholin-4-ylethanone?
The InChIKey is DWIXFXWBKSBJQW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-11-8-15-14(16-11)12-9-18(4-7-21-12)13(19)10-17-2-5-20-6-3-17/h8,12H,2-7,9-10H2,1H3,(H,15,16)/t12-/m0/s1.
What are the key properties of 1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-morpholin-4-ylethanone?
1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-morpholin-4-ylethanone has a molecular weight of 294.35 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 124953608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).