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

C21H34N4O — CID 86286878

IUPAC2-[(3-cyclohexylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCN1CCCC2(CCN(Cc3cncn3C3CCCCC3)C2)C1=O
InChIInChI=1S/C21H34N4O/c1-2-11-24-12-6-9-21(20(24)26)10-13-23(16-21)15-19-14-22-17-25(19)18-7-4-3-5-8-18/h14,17-18H,2-13,15-16H2,1H3
InChIKeyCPRBBPQHAJAWNW-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.61
Rot. Bonds5

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

2-[(3-cyclohexylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 86286878) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is 2-[(3-cyclohexylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[(3-cyclohexylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID86286878
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC Name2-[(3-cyclohexylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCN1CCCC2(CCN(Cc3cncn3C3CCCCC3)C2)C1=O
InChIInChI=1S/C21H34N4O/c1-2-11-24-12-6-9-21(20(24)26)10-13-23(16-21)15-19-14-22-17-25(19)18-7-4-3-5-8-18/h14,17-18H,2-13,15-16H2,1H3
InChIKeyCPRBBPQHAJAWNW-UHFFFAOYSA-N
XLogP3.61
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 72933218
(3-Methylimidazol-4-yl)-(9-propan-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone
CID 97393778
1-[4-(2,5-Dimethylimidazol-1-yl)piperidin-1-yl]-2-(1-ethylpiperidin-4-yl)ethanone
CID 124047362
(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
(1R,2S)-N-[(1-methylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxamide
CID 136587695
4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-N-ethyl-N-propan-2-ylpiperidine-1-carboxamide
CID 154803349
2,2-dimethyl-1-[(2R)-2-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]pyrrolidin-1-yl]butan-1-one
CID 164635508
1-[(2S)-2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 164638352

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclohexylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[(3-cyclohexylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one (CID 86286878) is 2-[(3-cyclohexylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[(3-cyclohexylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[(3-cyclohexylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one is CCCN1CCCC2(CCN(Cc3cncn3C3CCCCC3)C2)C1=O.
What is the InChIKey of 2-[(3-cyclohexylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is CPRBBPQHAJAWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-2-11-24-12-6-9-21(20(24)26)10-13-23(16-21)15-19-14-22-17-25(19)18-7-4-3-5-8-18/h14,17-18H,2-13,15-16H2,1H3.
What are the key properties of 2-[(3-cyclohexylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
2-[(3-cyclohexylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 358.53 g/mol, XLogP of 3.61, 5 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-propyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 86286878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).