7-[(3-cyclohexylimidazol-4-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C17H26N4O2 — CID 56910193

IUPAC7-[(3-cyclohexylimidazol-4-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCN1CC2(CCN(Cc3cncn3C3CCCCC3)C2)OC1=O
InChIInChI=1S/C17H26N4O2/c1-19-11-17(23-16(19)22)7-8-20(12-17)10-15-9-18-13-21(15)14-5-3-2-4-6-14/h9,13-14H,2-8,10-12H2,1H3
InChIKeyZPYQBRGLKAVBNA-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.41
Rot. Bonds3

About 7-[(3-cyclohexylimidazol-4-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

7-[(3-cyclohexylimidazol-4-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 56910193) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 7-[(3-cyclohexylimidazol-4-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name7-[(3-cyclohexylimidazol-4-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
PubChem CID56910193
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name7-[(3-cyclohexylimidazol-4-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCN1CC2(CCN(Cc3cncn3C3CCCCC3)C2)OC1=O
InChIInChI=1S/C17H26N4O2/c1-19-11-17(23-16(19)22)7-8-20(12-17)10-15-9-18-13-21(15)14-5-3-2-4-6-14/h9,13-14H,2-8,10-12H2,1H3
InChIKeyZPYQBRGLKAVBNA-UHFFFAOYSA-N
XLogP2.41
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R)-1-[(3-cyclohexylimidazol-4-yl)methyl]-3,4-dimethylpyrrolidin-3-ol
CID 86283114
(5S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 125524622
Tert-butyl 4-[5-(fluoromethyl)-3-oxo-1H-imidazo[1,5-c]imidazol-2(3H)-yl]piperidine-1-carboxylate
CID 23084127
7-[(1-isopropyl-1H-imidazol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
CID 56902043
3-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 72839040
(4S)-3-[(1-isobutyl-1H-imidazol-5-yl)methyl]-4-isopropyl-1,3-oxazolidin-2-one
CID 72868054
tert-butyl 4-(5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate
CID 23084046
tert-butyl 4-(3-ethyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate
CID 23084100
tert-butyl 4-methyl-4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate
CID 23084135
tert-butyl 4-((5-methyl-3-oxo-1H-imidazo[1,5-c]imidazol-2(3H)-yl)methyl)-1-piperidinecarboxylate
CID 23138425
Tert-butyl 2-[2-(4-methylimidazol-1-yl)ethyl]piperidine-1-carboxylate
CID 23521540
Tert-butyl 2-[2-(5-methylimidazol-1-yl)ethyl]piperidine-1-carboxylate
CID 23521541

Frequently Asked Questions

What is the IUPAC name of 7-[(3-cyclohexylimidazol-4-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 7-[(3-cyclohexylimidazol-4-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 56910193) is 7-[(3-cyclohexylimidazol-4-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 7-[(3-cyclohexylimidazol-4-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 7-[(3-cyclohexylimidazol-4-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is CN1CC2(CCN(Cc3cncn3C3CCCCC3)C2)OC1=O.
What is the InChIKey of 7-[(3-cyclohexylimidazol-4-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is ZPYQBRGLKAVBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-19-11-17(23-16(19)22)7-8-20(12-17)10-15-9-18-13-21(15)14-5-3-2-4-6-14/h9,13-14H,2-8,10-12H2,1H3.
What are the key properties of 7-[(3-cyclohexylimidazol-4-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
7-[(3-cyclohexylimidazol-4-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 318.42 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-cyclohexylimidazol-4-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 56910193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).