(6R)-8-(furan-2-ylmethyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one

C22H28N2O2 — CID 96580176

IUPAC(6R)-8-(furan-2-ylmethyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CC[C@@]2(CCCN(Cc3ccco3)C2)CN1CCc1ccccc1
InChIInChI=1S/C22H28N2O2/c25-21-9-12-22(18-24(21)14-10-19-6-2-1-3-7-19)11-5-13-23(17-22)16-20-8-4-15-26-20/h1-4,6-8,15H,5,9-14,16-18H2/t22-/m1/s1
InChIKeyKEUJMPTVKGLNPC-JOCHJYFZSA-N
MW352.48 g/mol
LogP3.73
Rot. Bonds5

About (6R)-8-(furan-2-ylmethyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one

(6R)-8-(furan-2-ylmethyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 96580176) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is (6R)-8-(furan-2-ylmethyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6R)-8-(furan-2-ylmethyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID96580176
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name(6R)-8-(furan-2-ylmethyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CC[C@@]2(CCCN(Cc3ccco3)C2)CN1CCc1ccccc1
InChIInChI=1S/C22H28N2O2/c25-21-9-12-22(18-24(21)14-10-19-6-2-1-3-7-19)11-5-13-23(17-22)16-20-8-4-15-26-20/h1-4,6-8,15H,5,9-14,16-18H2/t22-/m1/s1
InChIKeyKEUJMPTVKGLNPC-JOCHJYFZSA-N
XLogP3.73
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72863973
8-(furan-2-ylmethyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72846195
N,N-dimethyl-2-[3-oxo-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-8-yl]acetamide
CID 70714257
8-benzyl-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70738812
8-cyclopentyl-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70707226
(6S)-2-benzyl-8-[(4-hydroxyphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95872077
(6S)-2-(2-phenylethyl)-8-[3-(tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97156335
(6R)-2-benzyl-8-(2-imidazol-1-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95885755
8-cyclopropylsulfonyl-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72880462
3-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)propanamide
CID 70746799
(6R)-8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97127084
4-[[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]benzoic acid
CID 70753605

Frequently Asked Questions

What is the IUPAC name of (6R)-8-(furan-2-ylmethyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6R)-8-(furan-2-ylmethyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 96580176) is (6R)-8-(furan-2-ylmethyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6R)-8-(furan-2-ylmethyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6R)-8-(furan-2-ylmethyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one is O=C1CC[C@@]2(CCCN(Cc3ccco3)C2)CN1CCc1ccccc1.
What is the InChIKey of (6R)-8-(furan-2-ylmethyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is KEUJMPTVKGLNPC-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H28N2O2/c25-21-9-12-22(18-24(21)14-10-19-6-2-1-3-7-19)11-5-13-23(17-22)16-20-8-4-15-26-20/h1-4,6-8,15H,5,9-14,16-18H2/t22-/m1/s1.
What are the key properties of (6R)-8-(furan-2-ylmethyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one?
(6R)-8-(furan-2-ylmethyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 352.48 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-8-(furan-2-ylmethyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 96580176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).