2-[2-(1H-imidazol-5-yl)ethyl]-8-(oxan-4-yl)-2,8-diazaspiro[5.5]undecan-3-one

C19H30N4O2 — CID 70728217

IUPAC2-[2-(1H-imidazol-5-yl)ethyl]-8-(oxan-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(C3CCOCC3)C2)CN1CCc1cnc[nH]1
InChIInChI=1S/C19H30N4O2/c24-18-2-7-19(14-23(18)9-3-16-12-20-15-21-16)6-1-8-22(13-19)17-4-10-25-11-5-17/h12,15,17H,1-11,13-14H2,(H,20,21)
InChIKeyFESCTFXUYJXCDW-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.84
Rot. Bonds4

About 2-[2-(1H-imidazol-5-yl)ethyl]-8-(oxan-4-yl)-2,8-diazaspiro[5.5]undecan-3-one

2-[2-(1H-imidazol-5-yl)ethyl]-8-(oxan-4-yl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70728217) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-5-yl)ethyl]-8-(oxan-4-yl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-[2-(1H-imidazol-5-yl)ethyl]-8-(oxan-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70728217
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name2-[2-(1H-imidazol-5-yl)ethyl]-8-(oxan-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(C3CCOCC3)C2)CN1CCc1cnc[nH]1
InChIInChI=1S/C19H30N4O2/c24-18-2-7-19(14-23(18)9-3-16-12-20-15-21-16)6-1-8-22(13-19)17-4-10-25-11-5-17/h12,15,17H,1-11,13-14H2,(H,20,21)
InChIKeyFESCTFXUYJXCDW-UHFFFAOYSA-N
XLogP1.84
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(1H-imidazol-5-yl)ethyl]-8-(oxan-4-yl)-2,8-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

(4aS,9aR)-2-(3,3-dimethylbutanoyl)-7-[2-(1H-imidazol-5-yl)ethyl]-1,3,4,4a,5,8,9,9a-octahydropyrido[3,4-d]azepin-6-one
CID 26742651
8-(cyclopentylcarbonyl)-2-[2-(1H-imidazol-4-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70706292
8-(1H-imidazol-2-ylcarbonyl)-2-[2-(1H-imidazol-4-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70713311
N-(2-{8-[2-(1H-imidazol-4-yl)ethyl]-9-oxo-2,8-diazaspiro[5.5]undec-2-yl}-2-oxoethyl)acetamide
CID 70715593
8-[2-(1H-Imidazol-4-YL)ethyl]-9-oxo-N-propyl-2,8-diazaspiro[5.5]undecane-2-carboxamide
CID 70725268
isopropyl 8-[2-(1H-imidazol-4-yl)ethyl]-9-oxo-2,8-diazaspiro[5.5]undecane-2-carboxylate
CID 70736273
8-(N,N-dimethylglycyl)-2-[2-(1H-imidazol-4-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70755439
N-[2-(1H-imidazol-4-yl)ethyl]-1-(tetrahydro-2H-pyran-4-yl)-3-piperidinecarboxamide
CID 72876993
2-[2-(1H-Imidazol-4-YL)ethyl]-8-(3-methoxypropanoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72883695
2-[2-(1H-imidazol-4-yl)ethyl]-8-[(propylthio)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72913155
2-[2-(1H-imidazol-4-yl)ethyl]-8-[(6-oxo-1,6-dihydro-3-pyridinyl)carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70744623
3-[(3R)-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
CID 28357391

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-5-yl)ethyl]-8-(oxan-4-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-[2-(1H-imidazol-5-yl)ethyl]-8-(oxan-4-yl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70728217) is 2-[2-(1H-imidazol-5-yl)ethyl]-8-(oxan-4-yl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-[2-(1H-imidazol-5-yl)ethyl]-8-(oxan-4-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-[2-(1H-imidazol-5-yl)ethyl]-8-(oxan-4-yl)-2,8-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCCN(C3CCOCC3)C2)CN1CCc1cnc[nH]1.
What is the InChIKey of 2-[2-(1H-imidazol-5-yl)ethyl]-8-(oxan-4-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is FESCTFXUYJXCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c24-18-2-7-19(14-23(18)9-3-16-12-20-15-21-16)6-1-8-22(13-19)17-4-10-25-11-5-17/h12,15,17H,1-11,13-14H2,(H,20,21).
What are the key properties of 2-[2-(1H-imidazol-5-yl)ethyl]-8-(oxan-4-yl)-2,8-diazaspiro[5.5]undecan-3-one?
2-[2-(1H-imidazol-5-yl)ethyl]-8-(oxan-4-yl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 346.48 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-5-yl)ethyl]-8-(oxan-4-yl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70728217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).