8-(2-methoxyethyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

C16H28N4O3 — CID 134079073

IUPAC8-(2-methoxyethyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCOCCN1CCOCC2(C1)CN(Cc1nc[nH]c1C)CCO2
InChIInChI=1S/C16H28N4O3/c1-14-15(18-13-17-14)9-20-5-8-23-16(11-20)10-19(3-6-21-2)4-7-22-12-16/h13H,3-12H2,1-2H3,(H,17,18)
InChIKeyOXGJADXRZLCFCU-UHFFFAOYSA-N
MW324.43 g/mol
LogP0.27
Rot. Bonds5

About 8-(2-methoxyethyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

8-(2-methoxyethyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (PubChem CID 134079073) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is 8-(2-methoxyethyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name8-(2-methoxyethyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
PubChem CID134079073
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Name8-(2-methoxyethyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCOCCN1CCOCC2(C1)CN(Cc1nc[nH]c1C)CCO2
InChIInChI=1S/C16H28N4O3/c1-14-15(18-13-17-14)9-20-5-8-23-16(11-20)10-19(3-6-21-2)4-7-22-12-16/h13H,3-12H2,1-2H3,(H,17,18)
InChIKeyOXGJADXRZLCFCU-UHFFFAOYSA-N
XLogP0.27
TPSA62.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(5-Methyl-3H-imidazol-4-YL)methyl]-4-(oxan-4-YL)-1,4-diazepane-6-carboxamide
CID 118740246
N-methyl-N-[(4-methyl-1H-imidazol-5-yl)methyl]-2-morpholin-4-ylpropan-1-amine
CID 50971906
4-({1-[(4-methyl-1H-imidazol-5-yl)methyl]-4-piperidinyl}methyl)morpholine
CID 70716922
N-(3-methoxypropyl)-1-methyl-N-[(4-methyl-1H-imidazol-5-yl)methyl]-4-piperidinamine
CID 70764160
4-[(4-methyl-1H-imidazol-5-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane
CID 74236034
8-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 134072790
4-[(5-Methyl-1H-imidazol-4-yl)methyl]morpholine
CID 13320625
2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine
CID 55114588
({4-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]morpholin-2-yl}methyl)amine
CID 56705561
3-methyl-N-(2-{4-[(4-methyl-1H-imidazol-5-yl)methyl]morpholin-2-yl}ethyl)but-2-enamide
CID 56722687
1-methyl-4-({4-[(4-methyl-1H-imidazol-5-yl)methyl]-3-morpholinyl}acetyl)-1,4-diazepane
CID 56889387
1-(1,4-dioxan-2-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
CID 62741193

Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyethyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The IUPAC name of 8-(2-methoxyethyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (CID 134079073) is 8-(2-methoxyethyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.
What is the SMILES notation for 8-(2-methoxyethyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The canonical SMILES for 8-(2-methoxyethyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is COCCN1CCOCC2(C1)CN(Cc1nc[nH]c1C)CCO2.
What is the InChIKey of 8-(2-methoxyethyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The InChIKey is OXGJADXRZLCFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-14-15(18-13-17-14)9-20-5-8-23-16(11-20)10-19(3-6-21-2)4-7-22-12-16/h13H,3-12H2,1-2H3,(H,17,18).
What are the key properties of 8-(2-methoxyethyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
8-(2-methoxyethyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane has a molecular weight of 324.43 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 134079073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).