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

C18H22N2O2S — CID 95143740

IUPAC(2-ethyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)s1
InChIInChI=1S/C18H22N2O2S/c1-2-16-19-12-15(23-16)18(22)20-10-8-14(9-11-20)17(21)13-6-4-3-5-7-13/h3-7,12,14,17,21H,2,8-11H2,1H3/t17-/m0/s1
InChIKeyRNQJQFVNZBNVPM-KRWDZBQOSA-N
MW330.45 g/mol
LogP3.29
Rot. Bonds4

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

(2-ethyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone (PubChem CID 95143740) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is (2-ethyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
PubChem CID95143740
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name(2-ethyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)s1
InChIInChI=1S/C18H22N2O2S/c1-2-16-19-12-15(23-16)18(22)20-10-8-14(9-11-20)17(21)13-6-4-3-5-7-13/h3-7,12,14,17,21H,2,8-11H2,1H3/t17-/m0/s1
InChIKeyRNQJQFVNZBNVPM-KRWDZBQOSA-N
XLogP3.29
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone
CID 111462920
[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 95278919
(2-ethyl-1,3-thiazol-5-yl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
CID 95346732
(2-ethyl-1,3-thiazol-5-yl)-[4-(2-methylpropoxy)piperidin-1-yl]methanone
CID 48579290
(5-chlorothiophen-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 31058355
[4-(2-ethyl-1,3-thiazole-5-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 86847767
2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 94600648
[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 94173190
(5-ethylfuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 38482077
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 56820453
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 136577275
(3-aminopyrazin-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 38480245

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (2-ethyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone (CID 95143740) is (2-ethyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-ethyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone is CCc1ncc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)s1.
What is the InChIKey of (2-ethyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
The InChIKey is RNQJQFVNZBNVPM-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-2-16-19-12-15(23-16)18(22)20-10-8-14(9-11-20)17(21)13-6-4-3-5-7-13/h3-7,12,14,17,21H,2,8-11H2,1H3/t17-/m0/s1.
What are the key properties of (2-ethyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
(2-ethyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone has a molecular weight of 330.45 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 95143740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).