(6R)-2-benzyl-8-[2-(2-methylimidazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

C22H30N4O — CID 95896628

IUPAC(6R)-2-benzyl-8-[2-(2-methylimidazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1nccn1CCN1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1
InChIInChI=1S/C22H30N4O/c1-19-23-11-13-25(19)15-14-24-12-5-9-22(17-24)10-8-21(27)26(18-22)16-20-6-3-2-4-7-20/h2-4,6-7,11,13H,5,8-10,12,14-18H2,1H3/t22-/m1/s1
InChIKeyYAXFAEXFOLXLQR-JOCHJYFZSA-N
MW366.51 g/mol
LogP3.10
Rot. Bonds5

About (6R)-2-benzyl-8-[2-(2-methylimidazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

(6R)-2-benzyl-8-[2-(2-methylimidazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 95896628) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is (6R)-2-benzyl-8-[2-(2-methylimidazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6R)-2-benzyl-8-[2-(2-methylimidazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID95896628
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name(6R)-2-benzyl-8-[2-(2-methylimidazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1nccn1CCN1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1
InChIInChI=1S/C22H30N4O/c1-19-23-11-13-25(19)15-14-24-12-5-9-22(17-24)10-8-21(27)26(18-22)16-20-6-3-2-4-7-20/h2-4,6-7,11,13H,5,8-10,12,14-18H2,1H3/t22-/m1/s1
InChIKeyYAXFAEXFOLXLQR-JOCHJYFZSA-N
XLogP3.10
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6R)-2-benzyl-8-[2-(2-methylimidazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

(6R)-2-benzyl-8-(2-imidazol-1-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95885755
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
(6R)-8-[2-(2-methylimidazol-1-yl)acetyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97133245
8-butyl-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70745912
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
(6R)-8-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95866718
8-benzyl-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70738812
8-(2-hydroxyethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70710466
8-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72863973
(6S)-2-benzyl-8-[2-(methylamino)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95896111

Frequently Asked Questions

What is the IUPAC name of (6R)-2-benzyl-8-[2-(2-methylimidazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6R)-2-benzyl-8-[2-(2-methylimidazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 95896628) is (6R)-2-benzyl-8-[2-(2-methylimidazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6R)-2-benzyl-8-[2-(2-methylimidazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6R)-2-benzyl-8-[2-(2-methylimidazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one is Cc1nccn1CCN1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1.
What is the InChIKey of (6R)-2-benzyl-8-[2-(2-methylimidazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is YAXFAEXFOLXLQR-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H30N4O/c1-19-23-11-13-25(19)15-14-24-12-5-9-22(17-24)10-8-21(27)26(18-22)16-20-6-3-2-4-7-20/h2-4,6-7,11,13H,5,8-10,12,14-18H2,1H3/t22-/m1/s1.
What are the key properties of (6R)-2-benzyl-8-[2-(2-methylimidazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
(6R)-2-benzyl-8-[2-(2-methylimidazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 366.51 g/mol, XLogP of 3.10, 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-(2-methylimidazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 95896628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).