8-(4-methoxyphenyl)-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane

C20H28N4O2 — CID 131644254

IUPAC8-(4-methoxyphenyl)-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCOc1ccc(N2CCCC3(CN(Cc4nccn4C)CCO3)C2)cc1
InChIInChI=1S/C20H28N4O2/c1-22-11-9-21-19(22)14-23-12-13-26-20(15-23)8-3-10-24(16-20)17-4-6-18(25-2)7-5-17/h4-7,9,11H,3,8,10,12-16H2,1-2H3
InChIKeyINEVCOHZFFTEDT-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.30
Rot. Bonds4

About 8-(4-methoxyphenyl)-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane

8-(4-methoxyphenyl)-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 131644254) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID131644254
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name8-(4-methoxyphenyl)-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCOc1ccc(N2CCCC3(CN(Cc4nccn4C)CCO3)C2)cc1
InChIInChI=1S/C20H28N4O2/c1-22-11-9-21-19(22)14-23-12-13-26-20(15-23)8-3-10-24(16-20)17-4-6-18(25-2)7-5-17/h4-7,9,11H,3,8,10,12-16H2,1-2H3
InChIKeyINEVCOHZFFTEDT-UHFFFAOYSA-N
XLogP2.30
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(6S)-8-(4-methoxyphenyl)-4-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492001
4-[(1-methylimidazol-2-yl)methyl]-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 134070464
(6S)-4-[(3-methylimidazol-4-yl)methyl]-8-pyridin-3-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492020
4-(pyridin-4-ylmethyl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 134072499
4-[(4-methoxyphenyl)methyl]-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane
CID 175903976
10-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131649078
8-[(3-methoxyphenyl)methyl]-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 134077366
(5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472318
8-pyridin-3-yl-4-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131640266
(6S)-4-[(4-fluorophenyl)methyl]-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396493
(3R)-3-fluoro-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine
CID 129488138
(5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26394459

Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of 8-(4-methoxyphenyl)-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane (CID 131644254) is 8-(4-methoxyphenyl)-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 8-(4-methoxyphenyl)-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for 8-(4-methoxyphenyl)-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane is COc1ccc(N2CCCC3(CN(Cc4nccn4C)CCO3)C2)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is INEVCOHZFFTEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-22-11-9-21-19(22)14-23-12-13-26-20(15-23)8-3-10-24(16-20)17-4-6-18(25-2)7-5-17/h4-7,9,11H,3,8,10,12-16H2,1-2H3.
What are the key properties of 8-(4-methoxyphenyl)-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane?
8-(4-methoxyphenyl)-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 356.47 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 131644254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).