[4-(1H-imidazol-5-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone

C14H22N4O3 — CID 118740288

IUPAC[4-(1H-imidazol-5-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone
SMILESCC1(C(=O)N2CCOCC2)CN(Cc2cnc[nH]2)CCO1
InChIInChI=1S/C14H22N4O3/c1-14(13(19)18-3-5-20-6-4-18)10-17(2-7-21-14)9-12-8-15-11-16-12/h8,11H,2-7,9-10H2,1H3,(H,15,16)
InChIKeyUNEMHLHSVCCVJS-UHFFFAOYSA-N
MW294.35 g/mol
LogP-0.14
Rot. Bonds3

About [4-(1H-imidazol-5-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone

[4-(1H-imidazol-5-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone (PubChem CID 118740288) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is [4-(1H-imidazol-5-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(1H-imidazol-5-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone
PubChem CID118740288
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name[4-(1H-imidazol-5-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone
SMILESCC1(C(=O)N2CCOCC2)CN(Cc2cnc[nH]2)CCO1
InChIInChI=1S/C14H22N4O3/c1-14(13(19)18-3-5-20-6-4-18)10-17(2-7-21-14)9-12-8-15-11-16-12/h8,11H,2-7,9-10H2,1H3,(H,15,16)
InChIKeyUNEMHLHSVCCVJS-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

4-(1H-Imidazol-2-ylmethyl)-2-methyl-2-(morpholine-4-carbonyl)morpholine
CID 110268350
N-[(1-isobutyl-1H-imidazol-5-yl)methyl]-2-morpholin-4-ylacetamide
CID 91777875
[(2S)-4-methylmorpholin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 164635704
4-[(2-Ethyl-5-methyl-3H-imidazol-4-YL)methyl]-2-methyl-2-(morpholine-4-carbonyl)morpholine
CID 127247752
N-(1H-imidazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103725243
(4-methylmorpholin-2-yl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 136561648
N-(2-methoxyethyl)-1'-[(2-methyl-1H-imidazol-4-yl)methyl]-1,4'-bipiperidine-3-carboxamide
CID 56748181
N-isopropyl-N'-(2-{4-[(2-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl}ethyl)urea
CID 56753238
N-methyl-N-[(4-methyl-1H-imidazol-2-yl)methyl]-2-{4-[(4-methyl-1-piperazinyl)carbonyl]-3-morpholinyl}acetamide
CID 56905989
2-[9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl]-N-methylacetamide
CID 97396323
ethyl 4-(1H-imidazol-5-ylmethyl)piperazine-2-carboxylate
CID 20641690
1H-imidazol-5-yl-(2-propan-2-ylmorpholin-4-yl)methanone
CID 58468706

Frequently Asked Questions

What is the IUPAC name of [4-(1H-imidazol-5-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(1H-imidazol-5-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone (CID 118740288) is [4-(1H-imidazol-5-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(1H-imidazol-5-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(1H-imidazol-5-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone is CC1(C(=O)N2CCOCC2)CN(Cc2cnc[nH]2)CCO1.
What is the InChIKey of [4-(1H-imidazol-5-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is UNEMHLHSVCCVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-14(13(19)18-3-5-20-6-4-18)10-17(2-7-21-14)9-12-8-15-11-16-12/h8,11H,2-7,9-10H2,1H3,(H,15,16).
What are the key properties of [4-(1H-imidazol-5-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone?
[4-(1H-imidazol-5-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-5-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118740288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).