[(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone

C15H24N2O2S — CID 56739621

IUPAC[(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
SMILESCCCc1nc(C(=O)N2CC[C@@](C)(O)[C@@H](CC)C2)cs1
InChIInChI=1S/C15H24N2O2S/c1-4-6-13-16-12(10-20-13)14(18)17-8-7-15(3,19)11(5-2)9-17/h10-11,19H,4-9H2,1-3H3/t11-,15+/m0/s1
InChIKeyHZZGCVFXCAORPD-XHDPSFHLSA-N
MW296.44 g/mol
LogP2.72
Rot. Bonds4

About [(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone

[(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone (PubChem CID 56739621) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is [(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
PubChem CID56739621
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name[(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
SMILESCCCc1nc(C(=O)N2CC[C@@](C)(O)[C@@H](CC)C2)cs1
InChIInChI=1S/C15H24N2O2S/c1-4-6-13-16-12(10-20-13)14(18)17-8-7-15(3,19)11(5-2)9-17/h10-11,19H,4-9H2,1-3H3/t11-,15+/m0/s1
InChIKeyHZZGCVFXCAORPD-XHDPSFHLSA-N
XLogP2.72
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone with MolForge

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Related Compounds

(3S*,4R*)-4-(hydroxymethyl)-1-[(2-propyl-1,3-thiazol-4-yl)carbonyl]-3-piperidinol
CID 56916632
8-[(2-Isopropyl-1,3-thiazol-4-yl)carbonyl]-3-(1-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70705036
(3R*,4R*)-3-cyclobutyl-1-({2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}carbonyl)-4-methyl-3-pyrrolidinol
CID 72838482
(3R*,4R*)-1-[(2-isopropyl-1,3-thiazol-4-yl)carbonyl]-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72861374
(3R*,4R*)-1-({2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}carbonyl)-4-(2-methoxyethyl)-3-methyl-4-piperidinol
CID 72868948
(1R*,3S*)-7-({2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}carbonyl)-7-azaspiro[3.5]nonane-1,3-diol
CID 72941082
2-methyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-1,3-thiazole-4-carboxamide
CID 52317008
N-[(4-hydroxy-4-azepanyl)methyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 56903340
(3R*,4S*)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4-dimethylpiperidin-4-ol
CID 72869993
(3R*,4R*)-1-({2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}carbonyl)-3,4-dimethyl-3-pyrrolidinol
CID 72886932
2-Isopropyl-N-{[1-(4-methylpiperazin-1-YL)cyclopentyl]methyl}-1,3-thiazole-4-carboxamide
CID 91828992
2-Azabicyclo[2.2.1]heptan-2-yl-(2-methyl-1,3-thiazol-4-yl)methanone
CID 132283221

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone (CID 56739621) is [(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone is CCCc1nc(C(=O)N2CC[C@@](C)(O)[C@@H](CC)C2)cs1.
What is the InChIKey of [(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
The InChIKey is HZZGCVFXCAORPD-XHDPSFHLSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-6-13-16-12(10-20-13)14(18)17-8-7-15(3,19)11(5-2)9-17/h10-11,19H,4-9H2,1-3H3/t11-,15+/m0/s1.
What are the key properties of [(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
[(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone has a molecular weight of 296.44 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 56739621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).