3-ethyl-1-(2-methoxy-5-sulfamoylbenzoyl)piperidine-3-carboxylic acid

C16H22N2O6S — CID 70715759

IUPAC3-ethyl-1-(2-methoxy-5-sulfamoylbenzoyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2OC)C1
InChIInChI=1S/C16H22N2O6S/c1-3-16(15(20)21)7-4-8-18(10-16)14(19)12-9-11(25(17,22)23)5-6-13(12)24-2/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,20,21)(H2,17,22,23)
InChIKeyPOXYDKIZCROARC-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.06
Rot. Bonds5

About 3-ethyl-1-(2-methoxy-5-sulfamoylbenzoyl)piperidine-3-carboxylic acid

3-ethyl-1-(2-methoxy-5-sulfamoylbenzoyl)piperidine-3-carboxylic acid (PubChem CID 70715759) has the molecular formula C16H22N2O6S and a molecular weight of 370.43 g/mol. Its IUPAC name is 3-ethyl-1-(2-methoxy-5-sulfamoylbenzoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(2-methoxy-5-sulfamoylbenzoyl)piperidine-3-carboxylic acid
PubChem CID70715759
Molecular FormulaC16H22N2O6S
Molecular Weight370.43 g/mol
Exact Mass370.12
IUPAC Name3-ethyl-1-(2-methoxy-5-sulfamoylbenzoyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2OC)C1
InChIInChI=1S/C16H22N2O6S/c1-3-16(15(20)21)7-4-8-18(10-16)14(19)12-9-11(25(17,22)23)5-6-13(12)24-2/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,20,21)(H2,17,22,23)
InChIKeyPOXYDKIZCROARC-UHFFFAOYSA-N
XLogP1.06
TPSA127.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 72930852
3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methoxybenzenesulfonamide
CID 120816046
1-(4-chloro-2-methoxybenzoyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63144862
1-(2-methoxybenzoyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 56918920
2-[4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetic acid
CID 119247934
3-ethyl-1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylic acid
CID 107670785
1-(3,5-dimethylbenzoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63134169
1-(2-amino-4-methoxybenzoyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 115413224
[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone
CID 97142502
4-methoxy-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119576893
N-butyl-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 53280836
1-(3-chlorobenzoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63134559

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methoxy-5-sulfamoylbenzoyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(2-methoxy-5-sulfamoylbenzoyl)piperidine-3-carboxylic acid (CID 70715759) is 3-ethyl-1-(2-methoxy-5-sulfamoylbenzoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(2-methoxy-5-sulfamoylbenzoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(2-methoxy-5-sulfamoylbenzoyl)piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2OC)C1.
What is the InChIKey of 3-ethyl-1-(2-methoxy-5-sulfamoylbenzoyl)piperidine-3-carboxylic acid?
The InChIKey is POXYDKIZCROARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O6S/c1-3-16(15(20)21)7-4-8-18(10-16)14(19)12-9-11(25(17,22)23)5-6-13(12)24-2/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,20,21)(H2,17,22,23).
What are the key properties of 3-ethyl-1-(2-methoxy-5-sulfamoylbenzoyl)piperidine-3-carboxylic acid?
3-ethyl-1-(2-methoxy-5-sulfamoylbenzoyl)piperidine-3-carboxylic acid has a molecular weight of 370.43 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methoxy-5-sulfamoylbenzoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 70715759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).