2-[(6R)-3-oxo-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]benzonitrile

C25H27N3O2 — CID 97279265

IUPAC2-[(6R)-3-oxo-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]benzonitrile
SMILESN#Cc1ccccc1C(=O)N1CCC[C@]2(CCC(=O)N(CCc3ccccc3)C2)C1
InChIInChI=1S/C25H27N3O2/c26-17-21-9-4-5-10-22(21)24(30)28-15-6-13-25(19-28)14-11-23(29)27(18-25)16-12-20-7-2-1-3-8-20/h1-5,7-10H,6,11-16,18-19H2/t25-/m1/s1
InChIKeyXCIUXWZFGGHMLK-RUZDIDTESA-N
MW401.51 g/mol
LogP3.65
Rot. Bonds4

About 2-[(6R)-3-oxo-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]benzonitrile

2-[(6R)-3-oxo-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]benzonitrile (PubChem CID 97279265) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-[(6R)-3-oxo-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]benzonitrile.

Molecular Properties

Compound Name2-[(6R)-3-oxo-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]benzonitrile
PubChem CID97279265
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name2-[(6R)-3-oxo-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]benzonitrile
SMILESN#Cc1ccccc1C(=O)N1CCC[C@]2(CCC(=O)N(CCc3ccccc3)C2)C1
InChIInChI=1S/C25H27N3O2/c26-17-21-9-4-5-10-22(21)24(30)28-15-6-13-25(19-28)14-11-23(29)27(18-25)16-12-20-7-2-1-3-8-20/h1-5,7-10H,6,11-16,18-19H2/t25-/m1/s1
InChIKeyXCIUXWZFGGHMLK-RUZDIDTESA-N
XLogP3.65
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(6R)-3-oxo-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]benzonitrile with MolForge

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Related Compounds

(6R)-8-(1H-imidazole-2-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97122794
(6R)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96574038
(6R)-8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97127084
2-(2-methoxyethyl)-8-(2-methylsulfanylbenzoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72914540
8-cyclopentyl-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70707226
N,N-dimethyl-2-[3-oxo-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-8-yl]acetamide
CID 70714257
2-butyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70713127
8-(2-methylpyrimidine-5-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72860660
1-(2-cyanobenzoyl)-3-methylpiperidine-3-carbonitrile
CID 90650999
1-(2-cyanobenzoyl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 72895498
2-(3-methylbutyl)-8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70714987
8-cyclopropylsulfonyl-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72880462

Frequently Asked Questions

What is the IUPAC name of 2-[(6R)-3-oxo-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]benzonitrile?
The IUPAC name of 2-[(6R)-3-oxo-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]benzonitrile (CID 97279265) is 2-[(6R)-3-oxo-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]benzonitrile.
What is the SMILES notation for 2-[(6R)-3-oxo-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]benzonitrile?
The canonical SMILES for 2-[(6R)-3-oxo-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]benzonitrile is N#Cc1ccccc1C(=O)N1CCC[C@]2(CCC(=O)N(CCc3ccccc3)C2)C1.
What is the InChIKey of 2-[(6R)-3-oxo-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]benzonitrile?
The InChIKey is XCIUXWZFGGHMLK-RUZDIDTESA-N. The full InChI is InChI=1S/C25H27N3O2/c26-17-21-9-4-5-10-22(21)24(30)28-15-6-13-25(19-28)14-11-23(29)27(18-25)16-12-20-7-2-1-3-8-20/h1-5,7-10H,6,11-16,18-19H2/t25-/m1/s1.
What are the key properties of 2-[(6R)-3-oxo-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]benzonitrile?
2-[(6R)-3-oxo-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]benzonitrile has a molecular weight of 401.51 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6R)-3-oxo-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]benzonitrile is sourced from PubChem (CID 97279265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).