(3-hydroxypiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone

C16H18N2O3S — CID 110882016

IUPAC(3-hydroxypiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone
SMILESCOc1ccc(-c2nc(C(=O)N3CCCC(O)C3)cs2)cc1
InChIInChI=1S/C16H18N2O3S/c1-21-13-6-4-11(5-7-13)15-17-14(10-22-15)16(20)18-8-2-3-12(19)9-18/h4-7,10,12,19H,2-3,8-9H2,1H3
InChIKeyMASCXQUPVHZKIK-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.42
Rot. Bonds3

About (3-hydroxypiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone

(3-hydroxypiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone (PubChem CID 110882016) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone
PubChem CID110882016
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name(3-hydroxypiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone
SMILESCOc1ccc(-c2nc(C(=O)N3CCCC(O)C3)cs2)cc1
InChIInChI=1S/C16H18N2O3S/c1-21-13-6-4-11(5-7-13)15-17-14(10-22-15)16(20)18-8-2-3-12(19)9-18/h4-7,10,12,19H,2-3,8-9H2,1H3
InChIKeyMASCXQUPVHZKIK-UHFFFAOYSA-N
XLogP2.42
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119112072
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 26643733
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(1,4-thiazepan-4-yl)methanone
CID 86992454
(3-hydroxypiperidin-1-yl)-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone
CID 110889567
[(3S)-3-hydroxypiperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 107224496
1-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119167150
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 119644862
[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119394984
[2-(4-methylphenyl)-1,3-thiazol-4-yl]-(3-methylsulfonylpiperidin-1-yl)methanone
CID 154781836
(3-methoxyphenyl)-[4-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
CID 38047053
[2-(4-methylphenyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
CID 17474442
1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119167775

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone (CID 110882016) is (3-hydroxypiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone is COc1ccc(-c2nc(C(=O)N3CCCC(O)C3)cs2)cc1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is MASCXQUPVHZKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-21-13-6-4-11(5-7-13)15-17-14(10-22-15)16(20)18-8-2-3-12(19)9-18/h4-7,10,12,19H,2-3,8-9H2,1H3.
What are the key properties of (3-hydroxypiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone?
(3-hydroxypiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 318.40 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 110882016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).