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

C18H20N2O4S — CID 124574822

IUPAC(3R)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid
SMILESCc1nc(COc2cccc(C(=O)N3CCC[C@@H](C(=O)O)C3)c2)cs1
InChIInChI=1S/C18H20N2O4S/c1-12-19-15(11-25-12)10-24-16-6-2-4-13(8-16)17(21)20-7-3-5-14(9-20)18(22)23/h2,4,6,8,11,14H,3,5,7,9-10H2,1H3,(H,22,23)/t14-/m1/s1
InChIKeyRWTURHFTXOECDT-CQSZACIVSA-N
MW360.44 g/mol
LogP2.97
Rot. Bonds5

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

(3R)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid (PubChem CID 124574822) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is (3R)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid
PubChem CID124574822
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name(3R)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid
SMILESCc1nc(COc2cccc(C(=O)N3CCC[C@@H](C(=O)O)C3)c2)cs1
InChIInChI=1S/C18H20N2O4S/c1-12-19-15(11-25-12)10-24-16-6-2-4-13(8-16)17(21)20-7-3-5-14(9-20)18(22)23/h2,4,6,8,11,14H,3,5,7,9-10H2,1H3,(H,22,23)/t14-/m1/s1
InChIKeyRWTURHFTXOECDT-CQSZACIVSA-N
XLogP2.97
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid with MolForge

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Related Compounds

[(3S)-3-aminopiperidin-1-yl]-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 124628209
5-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid
CID 122117926
1-(3-ethoxybenzoyl)piperidine-3-carboxylic acid
CID 54794301
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 120814742
(3S)-1-[3-[(4-chlorophenyl)methoxy]benzoyl]piperidine-3-carboxylic acid
CID 119173769
[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-(3-aminopropoxy)piperidin-1-yl]-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone;dihydrochloride
CID 119663690
1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55813442
N-(1-acetylpiperidin-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46657248
N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 60568928
[(2R,5R)-2,5-dimethylmorpholin-4-yl]-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 94051440
(3S)-1-[3-(thiophen-2-ylmethoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 124703583

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid (CID 124574822) is (3R)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid is Cc1nc(COc2cccc(C(=O)N3CCC[C@@H](C(=O)O)C3)c2)cs1.
What is the InChIKey of (3R)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid?
The InChIKey is RWTURHFTXOECDT-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-12-19-15(11-25-12)10-24-16-6-2-4-13(8-16)17(21)20-7-3-5-14(9-20)18(22)23/h2,4,6,8,11,14H,3,5,7,9-10H2,1H3,(H,22,23)/t14-/m1/s1.
What are the key properties of (3R)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid?
(3R)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid has a molecular weight of 360.44 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 124574822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).