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

C21H28N4O — CID 72890162

IUPAC8-(1H-imidazol-2-ylmethyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(Cc3ncc[nH]3)CC2)CN1CCCc1ccccc1
InChIInChI=1S/C21H28N4O/c26-20-15-21(8-13-24(14-9-21)16-19-22-10-11-23-19)17-25(20)12-4-7-18-5-2-1-3-6-18/h1-3,5-6,10-11H,4,7-9,12-17H2,(H,22,23)
InChIKeyXVXANVHCGDXSTL-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.86
Rot. Bonds6

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

8-(1H-imidazol-2-ylmethyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72890162) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 8-(1H-imidazol-2-ylmethyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(1H-imidazol-2-ylmethyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72890162
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name8-(1H-imidazol-2-ylmethyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(Cc3ncc[nH]3)CC2)CN1CCCc1ccccc1
InChIInChI=1S/C21H28N4O/c26-20-15-21(8-13-24(14-9-21)16-19-22-10-11-23-19)17-25(20)12-4-7-18-5-2-1-3-6-18/h1-3,5-6,10-11H,4,7-9,12-17H2,(H,22,23)
InChIKeyXVXANVHCGDXSTL-UHFFFAOYSA-N
XLogP2.86
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxypropyl)-9-(1H-imidazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70756706
8-(2-aminopyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72922126
2-ethyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72895513
(4R)-2-ethyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97135166
2-(3-phenylpropyl)-8-(pyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72925497
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1H-imidazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72886185
8-(5,6-dimethylpyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72897530
2-(3-phenylpropyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-3-one
CID 72854437
2-(2-hydroxypropyl)-9-(1H-imidazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70705038
8-[(2R)-2-hydroxy-3-methylbutanoyl]-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97190991
8-[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 154899673
9-[3-(1H-imidazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 86284805

Frequently Asked Questions

What is the IUPAC name of 8-(1H-imidazol-2-ylmethyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(1H-imidazol-2-ylmethyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72890162) is 8-(1H-imidazol-2-ylmethyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(1H-imidazol-2-ylmethyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(1H-imidazol-2-ylmethyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(Cc3ncc[nH]3)CC2)CN1CCCc1ccccc1.
What is the InChIKey of 8-(1H-imidazol-2-ylmethyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is XVXANVHCGDXSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c26-20-15-21(8-13-24(14-9-21)16-19-22-10-11-23-19)17-25(20)12-4-7-18-5-2-1-3-6-18/h1-3,5-6,10-11H,4,7-9,12-17H2,(H,22,23).
What are the key properties of 8-(1H-imidazol-2-ylmethyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
8-(1H-imidazol-2-ylmethyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 352.48 g/mol, XLogP of 2.86, 6 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-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72890162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).