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

C14H22N4O2 — CID 97396253

IUPAC(1-methylimidazol-4-yl)-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESCN1CCOCC12CCN(C(=O)c1cn(C)cn1)CC2
InChIInChI=1S/C14H22N4O2/c1-16-9-12(15-11-16)13(19)18-5-3-14(4-6-18)10-20-8-7-17(14)2/h9,11H,3-8,10H2,1-2H3
InChIKeyYMLNDTBHYIHSFR-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.36
Rot. Bonds1

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

(1-methylimidazol-4-yl)-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone (PubChem CID 97396253) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is (1-methylimidazol-4-yl)-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name(1-methylimidazol-4-yl)-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone
PubChem CID97396253
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name(1-methylimidazol-4-yl)-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESCN1CCOCC12CCN(C(=O)c1cn(C)cn1)CC2
InChIInChI=1S/C14H22N4O2/c1-16-9-12(15-11-16)13(19)18-5-3-14(4-6-18)10-20-8-7-17(14)2/h9,11H,3-8,10H2,1-2H3
InChIKeyYMLNDTBHYIHSFR-UHFFFAOYSA-N
XLogP0.36
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-methylimidazol-4-yl)-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-4-yl)-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of (1-methylimidazol-4-yl)-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone (CID 97396253) is (1-methylimidazol-4-yl)-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for (1-methylimidazol-4-yl)-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for (1-methylimidazol-4-yl)-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone is CN1CCOCC12CCN(C(=O)c1cn(C)cn1)CC2.
What is the InChIKey of (1-methylimidazol-4-yl)-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is YMLNDTBHYIHSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-16-9-12(15-11-16)13(19)18-5-3-14(4-6-18)10-20-8-7-17(14)2/h9,11H,3-8,10H2,1-2H3.
What are the key properties of (1-methylimidazol-4-yl)-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone?
(1-methylimidazol-4-yl)-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 278.36 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-4-yl)-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 97396253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).