(6R)-2-benzyl-8-(2-imidazol-1-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one

C21H28N4O — CID 95885755

IUPAC(6R)-2-benzyl-8-(2-imidazol-1-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CC[C@@]2(CCCN(CCn3ccnc3)C2)CN1Cc1ccccc1
InChIInChI=1S/C21H28N4O/c26-20-7-9-21(17-25(20)15-19-5-2-1-3-6-19)8-4-11-23(16-21)13-14-24-12-10-22-18-24/h1-3,5-6,10,12,18H,4,7-9,11,13-17H2/t21-/m1/s1
InChIKeyBOGNKYMVCFINEC-OAQYLSRUSA-N
MW352.48 g/mol
LogP2.79
Rot. Bonds5

About (6R)-2-benzyl-8-(2-imidazol-1-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one

(6R)-2-benzyl-8-(2-imidazol-1-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 95885755) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is (6R)-2-benzyl-8-(2-imidazol-1-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6R)-2-benzyl-8-(2-imidazol-1-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID95885755
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name(6R)-2-benzyl-8-(2-imidazol-1-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CC[C@@]2(CCCN(CCn3ccnc3)C2)CN1Cc1ccccc1
InChIInChI=1S/C21H28N4O/c26-20-7-9-21(17-25(20)15-19-5-2-1-3-6-19)8-4-11-23(16-21)13-14-24-12-10-22-18-24/h1-3,5-6,10,12,18H,4,7-9,11,13-17H2/t21-/m1/s1
InChIKeyBOGNKYMVCFINEC-OAQYLSRUSA-N
XLogP2.79
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6R)-2-benzyl-8-[2-(2-methylimidazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95896628
3-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)propanamide
CID 70746799
(6S)-2-benzyl-8-[(4-hydroxyphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95872077
8-butyl-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70745912
1-(8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl)-4-imidazol-1-ylbutan-1-one
CID 70767519
8-benzyl-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70738812
(6R)-8-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95866718
(6R)-8-(furan-2-ylmethyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96580176
2-benzyl-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70787556
8-(2-hydroxyethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70710466
2-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-N-tert-butylacetamide
CID 70739252
2-[(6R)-2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-N-tert-butylacetamide
CID 95871224

Frequently Asked Questions

What is the IUPAC name of (6R)-2-benzyl-8-(2-imidazol-1-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6R)-2-benzyl-8-(2-imidazol-1-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 95885755) is (6R)-2-benzyl-8-(2-imidazol-1-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6R)-2-benzyl-8-(2-imidazol-1-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6R)-2-benzyl-8-(2-imidazol-1-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one is O=C1CC[C@@]2(CCCN(CCn3ccnc3)C2)CN1Cc1ccccc1.
What is the InChIKey of (6R)-2-benzyl-8-(2-imidazol-1-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is BOGNKYMVCFINEC-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H28N4O/c26-20-7-9-21(17-25(20)15-19-5-2-1-3-6-19)8-4-11-23(16-21)13-14-24-12-10-22-18-24/h1-3,5-6,10,12,18H,4,7-9,11,13-17H2/t21-/m1/s1.
What are the key properties of (6R)-2-benzyl-8-(2-imidazol-1-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one?
(6R)-2-benzyl-8-(2-imidazol-1-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 352.48 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-benzyl-8-(2-imidazol-1-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 95885755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).