2-[(3-cyclohexylimidazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one

C19H30N4O — CID 72933218

IUPAC2-[(3-cyclohexylimidazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCCC2(CCN(Cc3cncn3C3CCCCC3)C2)C1=O
InChIInChI=1S/C19H30N4O/c1-21-10-5-8-19(18(21)24)9-11-22(14-19)13-17-12-20-15-23(17)16-6-3-2-4-7-16/h12,15-16H,2-11,13-14H2,1H3
InChIKeyNABNMHDOFOMLLD-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.83
Rot. Bonds3

About 2-[(3-cyclohexylimidazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one

2-[(3-cyclohexylimidazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72933218) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 2-[(3-cyclohexylimidazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[(3-cyclohexylimidazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72933218
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name2-[(3-cyclohexylimidazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCCC2(CCN(Cc3cncn3C3CCCCC3)C2)C1=O
InChIInChI=1S/C19H30N4O/c1-21-10-5-8-19(18(21)24)9-11-22(14-19)13-17-12-20-15-23(17)16-6-3-2-4-7-16/h12,15-16H,2-11,13-14H2,1H3
InChIKeyNABNMHDOFOMLLD-UHFFFAOYSA-N
XLogP2.83
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(3-cyclohexylimidazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

US11691968, Example 66
CID 167524496
US20230271952, Example 66
CID 168678778
2-[4-(1H-imidazol-1-yl)butanoyl]-7-isopropyl-2,7-diazaspiro[4.5]decan-6-one
CID 72873945
2-[(3-Cyclopentylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 72889268
2-[(3-Cyclohexylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 86286878
(3-Methylimidazol-4-yl)-(9-propan-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone
CID 97393778
2-(2-hydroxypropyl)-9-[(1-methyl-1H-imidazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72847828
1-[4-(2,5-Dimethylimidazol-1-yl)piperidin-1-yl]-2-(1-ethylpiperidin-4-yl)ethanone
CID 124047362
N-{rel-(3R,4S)-1-[(1,2-dimethyl-1H-imidazol-5-yl)methyl]-4-propyl-3-pyrrolidinyl}cyclobutanecarboxamide dihydrochloride
CID 72862382
(5S)-5-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-1-propylpiperidin-2-one
CID 95719381
(5S)-7-cyclopentyl-2-(1H-imidazol-5-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97116501
1-[(1-methyl-1H-imidazol-5-yl)carbonyl]-4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine
CID 118766442

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclohexylimidazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[(3-cyclohexylimidazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one (CID 72933218) is 2-[(3-cyclohexylimidazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[(3-cyclohexylimidazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[(3-cyclohexylimidazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one is CN1CCCC2(CCN(Cc3cncn3C3CCCCC3)C2)C1=O.
What is the InChIKey of 2-[(3-cyclohexylimidazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is NABNMHDOFOMLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-21-10-5-8-19(18(21)24)9-11-22(14-19)13-17-12-20-15-23(17)16-6-3-2-4-7-16/h12,15-16H,2-11,13-14H2,1H3.
What are the key properties of 2-[(3-cyclohexylimidazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
2-[(3-cyclohexylimidazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 330.48 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclohexylimidazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72933218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).