[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone

C23H25N3O2S — CID 31060141

IUPAC[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone
SMILESCSc1ncc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)n1-c1ccccc1
InChIInChI=1S/C23H25N3O2S/c1-29-23-24-16-20(26(23)19-10-6-3-7-11-19)22(28)25-14-12-18(13-15-25)21(27)17-8-4-2-5-9-17/h2-11,16,18,21,27H,12-15H2,1H3/t21-/m0/s1
InChIKeyGJYNOJLPBXQZSZ-NRFANRHFSA-N
MW407.54 g/mol
LogP4.18
Rot. Bonds5

About [4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone

[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone (PubChem CID 31060141) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is [4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone
PubChem CID31060141
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone
SMILESCSc1ncc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)n1-c1ccccc1
InChIInChI=1S/C23H25N3O2S/c1-29-23-24-16-20(26(23)19-10-6-3-7-11-19)22(28)25-14-12-18(13-15-25)21(27)17-8-4-2-5-9-17/h2-11,16,18,21,27H,12-15H2,1H3/t21-/m0/s1
InChIKeyGJYNOJLPBXQZSZ-NRFANRHFSA-N
XLogP4.18
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone with MolForge

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Related Compounds

[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone
CID 31060142
(2-methylsulfanyl-3-phenylimidazol-4-yl)-(4-phenoxypiperidin-1-yl)methanone
CID 86833858
[1-[3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbonyl]piperidin-4-yl]-phenylmethanone
CID 33180217
[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 95278919
[4-(dimethylamino)piperidin-1-yl]-[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]methanone
CID 60579827
1-[3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbonyl]-N,N-dimethylpiperidine-4-carboxamide
CID 78779326
(2-ethyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 95143740
2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 47110159
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 134000431
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone
CID 111462920
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone
CID 39979323
[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 94173190

Frequently Asked Questions

What is the IUPAC name of [4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone?
The IUPAC name of [4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone (CID 31060141) is [4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone.
What is the SMILES notation for [4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone?
The canonical SMILES for [4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone is CSc1ncc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)n1-c1ccccc1.
What is the InChIKey of [4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone?
The InChIKey is GJYNOJLPBXQZSZ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-29-23-24-16-20(26(23)19-10-6-3-7-11-19)22(28)25-14-12-18(13-15-25)21(27)17-8-4-2-5-9-17/h2-11,16,18,21,27H,12-15H2,1H3/t21-/m0/s1.
What are the key properties of [4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone?
[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone has a molecular weight of 407.54 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone is sourced from PubChem (CID 31060141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).