8-(1H-imidazol-2-ylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one

C13H20N4O — CID 70777182

IUPAC8-(1H-imidazol-2-ylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CC2(CCN(Cc3ncc[nH]3)CC2)CC1=O
InChIInChI=1S/C13H20N4O/c1-16-10-13(8-12(16)18)2-6-17(7-3-13)9-11-14-4-5-15-11/h4-5H,2-3,6-10H2,1H3,(H,14,15)
InChIKeyRCNYLTOVYBDGJU-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.85
Rot. Bonds2

About 8-(1H-imidazol-2-ylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one

8-(1H-imidazol-2-ylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70777182) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 8-(1H-imidazol-2-ylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(1H-imidazol-2-ylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70777182
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name8-(1H-imidazol-2-ylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CC2(CCN(Cc3ncc[nH]3)CC2)CC1=O
InChIInChI=1S/C13H20N4O/c1-16-10-13(8-12(16)18)2-6-17(7-3-13)9-11-14-4-5-15-11/h4-5H,2-3,6-10H2,1H3,(H,14,15)
InChIKeyRCNYLTOVYBDGJU-UHFFFAOYSA-N
XLogP0.85
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Treamid
CID 86567101
(2S,4S)-4-[(2,2-dimethylpropanoyl)amino]-N-(1H-imidazol-2-ylmethyl)-1-methylpyrrolidine-2-carboxamide
CID 56718025
3-({4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-piperidinyl}carbonyl)-2,8-diazaspiro[4.5]decane
CID 56906160
8-(1H-Imidazol-2-ylmethyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72852965
8-(1H-imidazol-2-ylmethyl)-2-(3-methyl-2-buten-1-yl)-2,8-diazaspiro[4.5]decan-3-one
CID 72867383
3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
CID 95817633
4-{[4-(1H-imidazol-2-yl)-1-piperidinyl]carbonyl}-1-methyl-2-imidazolidinone
CID 70773690
rac-(4R,5S)-4-(aminomethyl)-1-methyl-5-(1-methyl-1H-imidazol-2-yl)pyrrolidin-2-one dihydrochloride
CID 121552999
3-[2-(2-methyl-1H-imidazol-1-yl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70748239
3-[(1-methyl-1H-imidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70749253
9-allyl-4-(1H-imidazol-2-ylmethyl)-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 70759071
1-(cyclobutylcarbonyl)-N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-4-piperidinecarboxamide
CID 72851366

Frequently Asked Questions

What is the IUPAC name of 8-(1H-imidazol-2-ylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(1H-imidazol-2-ylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one (CID 70777182) is 8-(1H-imidazol-2-ylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(1H-imidazol-2-ylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(1H-imidazol-2-ylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one is CN1CC2(CCN(Cc3ncc[nH]3)CC2)CC1=O.
What is the InChIKey of 8-(1H-imidazol-2-ylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is RCNYLTOVYBDGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-16-10-13(8-12(16)18)2-6-17(7-3-13)9-11-14-4-5-15-11/h4-5H,2-3,6-10H2,1H3,(H,14,15).
What are the key properties of 8-(1H-imidazol-2-ylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
8-(1H-imidazol-2-ylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 248.33 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-imidazol-2-ylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70777182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).