[(6R,11R)-11-hydroxy-8-(3-phenylprop-2-enyl)-2,8-diazaspiro[5.5]undecan-2-yl]-(3-methylimidazol-4-yl)methanone

C23H30N4O2 — CID 171148212

IUPAC[(6R,11R)-11-hydroxy-8-(3-phenylprop-2-enyl)-2,8-diazaspiro[5.5]undecan-2-yl]-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CCC[C@@]2(CN(CC=Cc3ccccc3)CC[C@H]2O)C1
InChIInChI=1S/C23H30N4O2/c1-25-18-24-15-20(25)22(29)27-13-6-11-23(17-27)16-26(14-10-21(23)28)12-5-9-19-7-3-2-4-8-19/h2-5,7-9,15,18,21,28H,6,10-14,16-17H2,1H3/t21-,23-/m1/s1
InChIKeyCUKKFKZCDIMEPC-FYYLOGMGSA-N
MW394.52 g/mol
LogP2.42
Rot. Bonds4

About [(6R,11R)-11-hydroxy-8-(3-phenylprop-2-enyl)-2,8-diazaspiro[5.5]undecan-2-yl]-(3-methylimidazol-4-yl)methanone

[(6R,11R)-11-hydroxy-8-(3-phenylprop-2-enyl)-2,8-diazaspiro[5.5]undecan-2-yl]-(3-methylimidazol-4-yl)methanone (PubChem CID 171148212) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is [(6R,11R)-11-hydroxy-8-(3-phenylprop-2-enyl)-2,8-diazaspiro[5.5]undecan-2-yl]-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[(6R,11R)-11-hydroxy-8-(3-phenylprop-2-enyl)-2,8-diazaspiro[5.5]undecan-2-yl]-(3-methylimidazol-4-yl)methanone
PubChem CID171148212
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name[(6R,11R)-11-hydroxy-8-(3-phenylprop-2-enyl)-2,8-diazaspiro[5.5]undecan-2-yl]-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CCC[C@@]2(CN(CC=Cc3ccccc3)CC[C@H]2O)C1
InChIInChI=1S/C23H30N4O2/c1-25-18-24-15-20(25)22(29)27-13-6-11-23(17-27)16-26(14-10-21(23)28)12-5-9-19-7-3-2-4-8-19/h2-5,7-9,15,18,21,28H,6,10-14,16-17H2,1H3/t21-,23-/m1/s1
InChIKeyCUKKFKZCDIMEPC-FYYLOGMGSA-N
XLogP2.42
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(6R,11R)-11-hydroxy-8-(3-phenylprop-2-enyl)-2,8-diazaspiro[5.5]undecan-2-yl]-(3-methylimidazol-4-yl)methanone with MolForge

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Related Compounds

(4R,5S)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[4.5]decan-4-ol
CID 165422452
1-[(6R,11R)-11-hydroxy-8-(2-methyl-3-phenylprop-2-enyl)-2,8-diazaspiro[5.5]undecan-2-yl]-2-methylsulfanylethanone
CID 171148224
(2-ethylphenyl)-[(6R,11R)-11-hydroxy-8-(2-methylbut-2-enyl)-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 171148200
3-methyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-3-carboxylic acid
CID 55167121
1-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-2-phenylsulfanylethanone
CID 164691764
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1-methylindol-3-yl)methanone
CID 164696777
3-ethyl-1-(3-phenylprop-2-enyl)piperidine-3-carboxylic acid
CID 76986276
(3-amino-3-cyclopropylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103512264
[9-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(3-methylimidazol-4-yl)methanone
CID 97408794
1-(azepan-1-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 109030031
cyclobutyl-[4-(3-phenylprop-2-enyl)-1,4-diazepan-1-yl]methanone
CID 171335990
[(2S)-1-methylazepan-2-yl]-[(2R)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-6-azaspiro[2.5]octan-6-yl]methanone
CID 124816871

Frequently Asked Questions

What is the IUPAC name of [(6R,11R)-11-hydroxy-8-(3-phenylprop-2-enyl)-2,8-diazaspiro[5.5]undecan-2-yl]-(3-methylimidazol-4-yl)methanone?
The IUPAC name of [(6R,11R)-11-hydroxy-8-(3-phenylprop-2-enyl)-2,8-diazaspiro[5.5]undecan-2-yl]-(3-methylimidazol-4-yl)methanone (CID 171148212) is [(6R,11R)-11-hydroxy-8-(3-phenylprop-2-enyl)-2,8-diazaspiro[5.5]undecan-2-yl]-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for [(6R,11R)-11-hydroxy-8-(3-phenylprop-2-enyl)-2,8-diazaspiro[5.5]undecan-2-yl]-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for [(6R,11R)-11-hydroxy-8-(3-phenylprop-2-enyl)-2,8-diazaspiro[5.5]undecan-2-yl]-(3-methylimidazol-4-yl)methanone is Cn1cncc1C(=O)N1CCC[C@@]2(CN(CC=Cc3ccccc3)CC[C@H]2O)C1.
What is the InChIKey of [(6R,11R)-11-hydroxy-8-(3-phenylprop-2-enyl)-2,8-diazaspiro[5.5]undecan-2-yl]-(3-methylimidazol-4-yl)methanone?
The InChIKey is CUKKFKZCDIMEPC-FYYLOGMGSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-25-18-24-15-20(25)22(29)27-13-6-11-23(17-27)16-26(14-10-21(23)28)12-5-9-19-7-3-2-4-8-19/h2-5,7-9,15,18,21,28H,6,10-14,16-17H2,1H3/t21-,23-/m1/s1.
What are the key properties of [(6R,11R)-11-hydroxy-8-(3-phenylprop-2-enyl)-2,8-diazaspiro[5.5]undecan-2-yl]-(3-methylimidazol-4-yl)methanone?
[(6R,11R)-11-hydroxy-8-(3-phenylprop-2-enyl)-2,8-diazaspiro[5.5]undecan-2-yl]-(3-methylimidazol-4-yl)methanone has a molecular weight of 394.52 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R,11R)-11-hydroxy-8-(3-phenylprop-2-enyl)-2,8-diazaspiro[5.5]undecan-2-yl]-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 171148212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).