5-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid

C19H22N2O4S — CID 122117926

IUPAC5-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid
SMILESCc1nc(COc2cccc(C(=O)N3CC(C)CC(C(=O)O)C3)c2)cs1
InChIInChI=1S/C19H22N2O4S/c1-12-6-15(19(23)24)9-21(8-12)18(22)14-4-3-5-17(7-14)25-10-16-11-26-13(2)20-16/h3-5,7,11-12,15H,6,8-10H2,1-2H3,(H,23,24)
InChIKeyJBOZPVDCZBJGFP-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.21
Rot. Bonds5

About 5-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid

5-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid (PubChem CID 122117926) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 5-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid
PubChem CID122117926
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name5-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid
SMILESCc1nc(COc2cccc(C(=O)N3CC(C)CC(C(=O)O)C3)c2)cs1
InChIInChI=1S/C19H22N2O4S/c1-12-6-15(19(23)24)9-21(8-12)18(22)14-4-3-5-17(7-14)25-10-16-11-26-13(2)20-16/h3-5,7,11-12,15H,6,8-10H2,1-2H3,(H,23,24)
InChIKeyJBOZPVDCZBJGFP-UHFFFAOYSA-N
XLogP3.21
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid
CID 124574822
[(3S)-3-aminopiperidin-1-yl]-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 124628209
[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 95778296
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 120814742
[(2R,5R)-2,5-dimethylmorpholin-4-yl]-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 94051440
[4-(3-aminopropoxy)piperidin-1-yl]-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone;dihydrochloride
CID 119663690
N-(1-acetylpiperidin-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46657248
[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 86859757
N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 60568928
(E)-1-(4-benzoylpiperidin-1-yl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-en-1-one
CID 41310347
N-benzyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-thiazolidine-4-carboxamide
CID 43073205
5-methyl-1-(quinoline-6-carbonyl)piperidine-3-carboxylic acid
CID 122117740

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid (CID 122117926) is 5-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid is Cc1nc(COc2cccc(C(=O)N3CC(C)CC(C(=O)O)C3)c2)cs1.
What is the InChIKey of 5-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid?
The InChIKey is JBOZPVDCZBJGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-12-6-15(19(23)24)9-21(8-12)18(22)14-4-3-5-17(7-14)25-10-16-11-26-13(2)20-16/h3-5,7,11-12,15H,6,8-10H2,1-2H3,(H,23,24).
What are the key properties of 5-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid?
5-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid has a molecular weight of 374.46 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122117926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).