[4-(1H-imidazol-2-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone

C14H22N4O3 — CID 110268350

IUPAC[4-(1H-imidazol-2-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone
SMILESCC1(C(=O)N2CCOCC2)CN(Cc2ncc[nH]2)CCO1
InChIInChI=1S/C14H22N4O3/c1-14(13(19)18-5-7-20-8-6-18)11-17(4-9-21-14)10-12-15-2-3-16-12/h2-3H,4-11H2,1H3,(H,15,16)
InChIKeyHZTIRBZTEODIII-UHFFFAOYSA-N
MW294.35 g/mol
LogP-0.14
Rot. Bonds3

About [4-(1H-imidazol-2-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone

[4-(1H-imidazol-2-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone (PubChem CID 110268350) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is [4-(1H-imidazol-2-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(1H-imidazol-2-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone
PubChem CID110268350
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name[4-(1H-imidazol-2-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone
SMILESCC1(C(=O)N2CCOCC2)CN(Cc2ncc[nH]2)CCO1
InChIInChI=1S/C14H22N4O3/c1-14(13(19)18-5-7-20-8-6-18)11-17(4-9-21-14)10-12-15-2-3-16-12/h2-3H,4-11H2,1H3,(H,15,16)
InChIKeyHZTIRBZTEODIII-UHFFFAOYSA-N
XLogP-0.14
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 ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-methyl-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone
CID 175652668
[2-methyl-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 127247751
[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 118740266
[2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 110271141
[2-methyl-4-[(6-methyl-2-pyridinyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 118740287
[2-methyl-4-(thiophen-3-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone
CID 110268314
[(2R)-4-[(4-hydroxyoxan-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone
CID 124998464
7-(1H-imidazol-2-ylmethyl)-1,4-dioxa-7-azaspiro[4.4]nonane
CID 130863312
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide
CID 124984231
[2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-(4-methylpyrimidin-5-yl)methanone
CID 110253448
formic acid;1-[4-(1H-imidazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
CID 154912203
1-(1H-imidazol-2-ylmethyl)-3-(3-methylbut-2-enyl)piperidine-3-carboxylic acid
CID 70717173

Frequently Asked Questions

What is the IUPAC name of [4-(1H-imidazol-2-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(1H-imidazol-2-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone (CID 110268350) is [4-(1H-imidazol-2-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(1H-imidazol-2-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(1H-imidazol-2-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone is CC1(C(=O)N2CCOCC2)CN(Cc2ncc[nH]2)CCO1.
What is the InChIKey of [4-(1H-imidazol-2-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is HZTIRBZTEODIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-14(13(19)18-5-7-20-8-6-18)11-17(4-9-21-14)10-12-15-2-3-16-12/h2-3H,4-11H2,1H3,(H,15,16).
What are the key properties of [4-(1H-imidazol-2-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone?
[4-(1H-imidazol-2-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 294.35 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-imidazol-2-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110268350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).