2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(5-methyl-4-phenylthiophen-2-yl)ethanone

C29H28N2O2S — CID 58431681

IUPAC2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(5-methyl-4-phenylthiophen-2-yl)ethanone
SMILESCc1sc(C(=O)Cc2ccc(N3CCC(O)(c4ccccc4)CC3)nc2)cc1-c1ccccc1
InChIInChI=1S/C29H28N2O2S/c1-21-25(23-8-4-2-5-9-23)19-27(34-21)26(32)18-22-12-13-28(30-20-22)31-16-14-29(33,15-17-31)24-10-6-3-7-11-24/h2-13,19-20,33H,14-18H2,1H3
InChIKeyJVAOIWIEWRTDOM-UHFFFAOYSA-N
MW468.62 g/mol
LogP6.03
Rot. Bonds6

About 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(5-methyl-4-phenylthiophen-2-yl)ethanone

2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(5-methyl-4-phenylthiophen-2-yl)ethanone (PubChem CID 58431681) has the molecular formula C29H28N2O2S and a molecular weight of 468.62 g/mol. Its IUPAC name is 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(5-methyl-4-phenylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(5-methyl-4-phenylthiophen-2-yl)ethanone
PubChem CID58431681
Molecular FormulaC29H28N2O2S
Molecular Weight468.62 g/mol
Exact Mass468.19
IUPAC Name2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(5-methyl-4-phenylthiophen-2-yl)ethanone
SMILESCc1sc(C(=O)Cc2ccc(N3CCC(O)(c4ccccc4)CC3)nc2)cc1-c1ccccc1
InChIInChI=1S/C29H28N2O2S/c1-21-25(23-8-4-2-5-9-23)19-27(34-21)26(32)18-22-12-13-28(30-20-22)31-16-14-29(33,15-17-31)24-10-6-3-7-11-24/h2-13,19-20,33H,14-18H2,1H3
InChIKeyJVAOIWIEWRTDOM-UHFFFAOYSA-N
XLogP6.03
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.62
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(5-methyl-4-phenylthiophen-2-yl)ethanone with MolForge

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Related Compounds

5-(6-Aminopyridin-3-yl)thiophene-2-carboxylic acid
CID 2052633
5-(6-Amino-5-methylpyridin-3-yl)thiophene-2-carboxylic acid
CID 2052640
3-[5-[(Z)-[3-(5-fluoro-2-pyridinyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]thiophen-2-yl]benzoic acid
CID 127053330
5-[2,6-Difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25123484
2,6-difluoro-N-(5-(2-(2-hydroxypropan-2-yl)-5-(pyridin-3-yl)thiophen-3-yl)pyridin-2-yl)benzamide
CID 45279913
2-[6-(4-Hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 58429209
5-[2,6-Difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 59525586
5-[2,6-Difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-(pyridin-2-ylamino)thiophene-3-carboxamide
CID 59525719
6-({3-(Aminocarbonyl)-5-[2-fluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-thienyl}amino)-N,N-dimethylnicotinamide
CID 59525909
5-[2,6-Difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-pyridin-3-yl-2-pyridinyl)amino]thiophene-3-carboxamide
CID 59526048
5-[2-Fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(5-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide
CID 59526169
5-[2,6-Difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(4-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide
CID 59526179

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(5-methyl-4-phenylthiophen-2-yl)ethanone?
The IUPAC name of 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(5-methyl-4-phenylthiophen-2-yl)ethanone (CID 58431681) is 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(5-methyl-4-phenylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(5-methyl-4-phenylthiophen-2-yl)ethanone?
The canonical SMILES for 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(5-methyl-4-phenylthiophen-2-yl)ethanone is Cc1sc(C(=O)Cc2ccc(N3CCC(O)(c4ccccc4)CC3)nc2)cc1-c1ccccc1.
What is the InChIKey of 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(5-methyl-4-phenylthiophen-2-yl)ethanone?
The InChIKey is JVAOIWIEWRTDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O2S/c1-21-25(23-8-4-2-5-9-23)19-27(34-21)26(32)18-22-12-13-28(30-20-22)31-16-14-29(33,15-17-31)24-10-6-3-7-11-24/h2-13,19-20,33H,14-18H2,1H3.
What are the key properties of 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(5-methyl-4-phenylthiophen-2-yl)ethanone?
2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(5-methyl-4-phenylthiophen-2-yl)ethanone has a molecular weight of 468.62 g/mol, XLogP of 6.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(5-methyl-4-phenylthiophen-2-yl)ethanone is sourced from PubChem (CID 58431681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).