[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(1-methylimidazol-4-yl)methanone

C16H26N4O3 — CID 97412418

IUPAC[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(1-methylimidazol-4-yl)methanone
SMILESCOCCN1CCOCC12CCN(C(=O)c1cn(C)cn1)CC2
InChIInChI=1S/C16H26N4O3/c1-18-11-14(17-13-18)15(21)19-5-3-16(4-6-19)12-23-10-8-20(16)7-9-22-2/h11,13H,3-10,12H2,1-2H3
InChIKeyBSQUFUVEYMFSJT-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.37
Rot. Bonds4

About [1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(1-methylimidazol-4-yl)methanone

[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(1-methylimidazol-4-yl)methanone (PubChem CID 97412418) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is [1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(1-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(1-methylimidazol-4-yl)methanone
PubChem CID97412418
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(1-methylimidazol-4-yl)methanone
SMILESCOCCN1CCOCC12CCN(C(=O)c1cn(C)cn1)CC2
InChIInChI=1S/C16H26N4O3/c1-18-11-14(17-13-18)15(21)19-5-3-16(4-6-19)12-23-10-8-20(16)7-9-22-2/h11,13H,3-10,12H2,1-2H3
InChIKeyBSQUFUVEYMFSJT-UHFFFAOYSA-N
XLogP0.37
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(1-methylimidazol-4-yl)methanone?
The IUPAC name of [1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(1-methylimidazol-4-yl)methanone (CID 97412418) is [1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(1-methylimidazol-4-yl)methanone.
What is the SMILES notation for [1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(1-methylimidazol-4-yl)methanone?
The canonical SMILES for [1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(1-methylimidazol-4-yl)methanone is COCCN1CCOCC12CCN(C(=O)c1cn(C)cn1)CC2.
What is the InChIKey of [1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(1-methylimidazol-4-yl)methanone?
The InChIKey is BSQUFUVEYMFSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-18-11-14(17-13-18)15(21)19-5-3-16(4-6-19)12-23-10-8-20(16)7-9-22-2/h11,13H,3-10,12H2,1-2H3.
What are the key properties of [1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(1-methylimidazol-4-yl)methanone?
[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(1-methylimidazol-4-yl)methanone has a molecular weight of 322.41 g/mol, XLogP of 0.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(1-methylimidazol-4-yl)methanone is sourced from PubChem (CID 97412418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).