[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone

C21H21N3O2S — CID 121498872

IUPAC[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone
SMILESCc1ccc(C2(O)CCN(C(=O)c3ccc(-c4nccs4)cc3)CC2)nc1
InChIInChI=1S/C21H21N3O2S/c1-15-2-7-18(23-14-15)21(26)8-11-24(12-9-21)20(25)17-5-3-16(4-6-17)19-22-10-13-27-19/h2-7,10,13-14,26H,8-9,11-12H2,1H3
InChIKeyDMHPQMGCALEHEH-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.64
Rot. Bonds3

About [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone

[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone (PubChem CID 121498872) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone
PubChem CID121498872
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone
SMILESCc1ccc(C2(O)CCN(C(=O)c3ccc(-c4nccs4)cc3)CC2)nc1
InChIInChI=1S/C21H21N3O2S/c1-15-2-7-18(23-14-15)21(26)8-11-24(12-9-21)20(25)17-5-3-16(4-6-17)19-22-10-13-27-19/h2-7,10,13-14,26H,8-9,11-12H2,1H3
InChIKeyDMHPQMGCALEHEH-UHFFFAOYSA-N
XLogP3.64
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 56741927
(4-amino-2-pyridinyl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 56752037
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1H-imidazol-2-yl)methanone
CID 56747203
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 56740554
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone
CID 56754610
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone
CID 95711804
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
CID 56742882
2-amino-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanone
CID 56747551
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone
CID 157014393
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone
CID 70726866
4-[4-hydroxy-4-(4-methylphenyl)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87488147
2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]pyridine-4-carboxamide
CID 56757810

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone?
The IUPAC name of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone (CID 121498872) is [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone.
What is the SMILES notation for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone?
The canonical SMILES for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone is Cc1ccc(C2(O)CCN(C(=O)c3ccc(-c4nccs4)cc3)CC2)nc1.
What is the InChIKey of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone?
The InChIKey is DMHPQMGCALEHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-15-2-7-18(23-14-15)21(26)8-11-24(12-9-21)20(25)17-5-3-16(4-6-17)19-22-10-13-27-19/h2-7,10,13-14,26H,8-9,11-12H2,1H3.
What are the key properties of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone?
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone has a molecular weight of 379.49 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone is sourced from PubChem (CID 121498872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).