(4-hydroxypiperidin-1-yl)-[4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanone

C20H25N3O4S — CID 91958350

IUPAC(4-hydroxypiperidin-1-yl)-[4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanone
SMILESCOc1ccc(C(=O)N2CCC(O)CC2)cc1-c1csc(N2CCOCC2)n1
InChIInChI=1S/C20H25N3O4S/c1-26-18-3-2-14(19(25)22-6-4-15(24)5-7-22)12-16(18)17-13-28-20(21-17)23-8-10-27-11-9-23/h2-3,12-13,15,24H,4-11H2,1H3
InChIKeyYJQKFXJVGGYUJF-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.25
Rot. Bonds4

About (4-hydroxypiperidin-1-yl)-[4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanone

(4-hydroxypiperidin-1-yl)-[4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanone (PubChem CID 91958350) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-[4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanone
PubChem CID91958350
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name(4-hydroxypiperidin-1-yl)-[4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanone
SMILESCOc1ccc(C(=O)N2CCC(O)CC2)cc1-c1csc(N2CCOCC2)n1
InChIInChI=1S/C20H25N3O4S/c1-26-18-3-2-14(19(25)22-6-4-15(24)5-7-22)12-16(18)17-13-28-20(21-17)23-8-10-27-11-9-23/h2-3,12-13,15,24H,4-11H2,1H3
InChIKeyYJQKFXJVGGYUJF-UHFFFAOYSA-N
XLogP2.25
TPSA75.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4-hydroxypiperidin-1-yl)-[4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanone with MolForge

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Related Compounds

N-[5-(dimethylamino)pentan-2-yl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide
CID 91958362
azepan-1-yl-[3-[2-(dimethylamino)-1,3-thiazol-4-yl]-4-methoxyphenyl]methanone
CID 91958331
N-[3-(furan-2-yl)-3-hydroxypropyl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide
CID 91958345
(3,4-dimethoxyphenyl)-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 133371022
(4-hydroxypiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone
CID 82480569
3-[4-[2-[[2-ethyl-4-(morpholine-4-carbonyl)phenyl]methoxy]-5-methylphenyl]-1,3-thiazol-2-yl]-3-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 78057580
3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 41248355
(3-ethyl-4-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 82486019
1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907682
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
CID 152894287
CID 152894287
dimethyl 5-[2,5-dimethyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)pyrrol-1-yl]benzene-1,3-dicarboxylate
CID 42998337

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-[4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-[4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanone (CID 91958350) is (4-hydroxypiperidin-1-yl)-[4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-[4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-[4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanone is COc1ccc(C(=O)N2CCC(O)CC2)cc1-c1csc(N2CCOCC2)n1.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-[4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanone?
The InChIKey is YJQKFXJVGGYUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-26-18-3-2-14(19(25)22-6-4-15(24)5-7-22)12-16(18)17-13-28-20(21-17)23-8-10-27-11-9-23/h2-3,12-13,15,24H,4-11H2,1H3.
What are the key properties of (4-hydroxypiperidin-1-yl)-[4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanone?
(4-hydroxypiperidin-1-yl)-[4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanone has a molecular weight of 403.50 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-[4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanone is sourced from PubChem (CID 91958350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).