1-[2-[(2-butyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2,2-dimethylpropan-1-one

C21H36N4O — CID 56740349

IUPAC1-[2-[(2-butyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2,2-dimethylpropan-1-one
SMILESCCCCc1ncc(CN2CCC3(CCCN(C(=O)C(C)(C)C)C3)C2)[nH]1
InChIInChI=1S/C21H36N4O/c1-5-6-8-18-22-13-17(23-18)14-24-12-10-21(15-24)9-7-11-25(16-21)19(26)20(2,3)4/h13H,5-12,14-16H2,1-4H3,(H,22,23)
InChIKeyAJCWBWFQKTVPDB-UHFFFAOYSA-N
MW360.55 g/mol
LogP3.61
Rot. Bonds5

About 1-[2-[(2-butyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2,2-dimethylpropan-1-one

1-[2-[(2-butyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2,2-dimethylpropan-1-one (PubChem CID 56740349) has the molecular formula C21H36N4O and a molecular weight of 360.55 g/mol. Its IUPAC name is 1-[2-[(2-butyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[2-[(2-butyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2,2-dimethylpropan-1-one
PubChem CID56740349
Molecular FormulaC21H36N4O
Molecular Weight360.55 g/mol
Exact Mass360.29
IUPAC Name1-[2-[(2-butyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2,2-dimethylpropan-1-one
SMILESCCCCc1ncc(CN2CCC3(CCCN(C(=O)C(C)(C)C)C3)C2)[nH]1
InChIInChI=1S/C21H36N4O/c1-5-6-8-18-22-13-17(23-18)14-24-12-10-21(15-24)9-7-11-25(16-21)19(26)20(2,3)4/h13H,5-12,14-16H2,1-4H3,(H,22,23)
InChIKeyAJCWBWFQKTVPDB-UHFFFAOYSA-N
XLogP3.61
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.55
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-butyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[2-[(2-butyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2,2-dimethylpropan-1-one (CID 56740349) is 1-[2-[(2-butyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[2-[(2-butyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[2-[(2-butyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2,2-dimethylpropan-1-one is CCCCc1ncc(CN2CCC3(CCCN(C(=O)C(C)(C)C)C3)C2)[nH]1.
What is the InChIKey of 1-[2-[(2-butyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2,2-dimethylpropan-1-one?
The InChIKey is AJCWBWFQKTVPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O/c1-5-6-8-18-22-13-17(23-18)14-24-12-10-21(15-24)9-7-11-25(16-21)19(26)20(2,3)4/h13H,5-12,14-16H2,1-4H3,(H,22,23).
What are the key properties of 1-[2-[(2-butyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2,2-dimethylpropan-1-one?
1-[2-[(2-butyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2,2-dimethylpropan-1-one has a molecular weight of 360.55 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-butyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 56740349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).