ethyl 1-[2-(methanesulfonamido)benzoyl]piperidine-3-carboxylate

C16H22N2O5S — CID 51163973

IUPACethyl 1-[2-(methanesulfonamido)benzoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccccc2NS(C)(=O)=O)C1
InChIInChI=1S/C16H22N2O5S/c1-3-23-16(20)12-7-6-10-18(11-12)15(19)13-8-4-5-9-14(13)17-24(2,21)22/h4-5,8-9,12,17H,3,6-7,10-11H2,1-2H3
InChIKeyCJRAPNFSLKERDX-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.47
Rot. Bonds5

About ethyl 1-[2-(methanesulfonamido)benzoyl]piperidine-3-carboxylate

ethyl 1-[2-(methanesulfonamido)benzoyl]piperidine-3-carboxylate (PubChem CID 51163973) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is ethyl 1-[2-(methanesulfonamido)benzoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(methanesulfonamido)benzoyl]piperidine-3-carboxylate
PubChem CID51163973
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Nameethyl 1-[2-(methanesulfonamido)benzoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccccc2NS(C)(=O)=O)C1
InChIInChI=1S/C16H22N2O5S/c1-3-23-16(20)12-7-6-10-18(11-12)15(19)13-8-4-5-9-14(13)17-24(2,21)22/h4-5,8-9,12,17H,3,6-7,10-11H2,1-2H3
InChIKeyCJRAPNFSLKERDX-UHFFFAOYSA-N
XLogP1.47
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[2-(methylamino)benzoyl]piperidine-3-carboxylate
CID 61377643
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354
ethyl (3S)-1-(2-iodobenzoyl)piperidine-3-carboxylate
CID 1345981
ethyl (3S)-1-[3-(methanesulfonamido)benzoyl]piperidine-3-carboxylate
CID 31469286
ethyl 1-[2-[2-(dicyanomethylidene)hydrazinyl]benzoyl]piperidine-3-carboxylate
CID 169340182
ethyl (3R)-1-(2-methylsulfanylbenzoyl)piperidine-3-carboxylate
CID 81338642
(3S)-1-[2-(ethylsulfonylamino)benzoyl]piperidine-3-carboxylic acid
CID 119174076
ethyl (3R)-1-(2-phenylbenzoyl)piperidine-3-carboxylate
CID 39950024
ethyl (3R)-1-(3-chloro-2-methylbenzoyl)piperidine-3-carboxylate
CID 107098532
ethyl (3R)-1-(2,3-dimethylbenzoyl)piperidine-3-carboxylate
CID 81338799
ethyl 1-[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]piperidine-3-carboxylate
CID 25162125
ethyl 1-[2-(2-amino-2-oxoethyl)sulfanylbenzoyl]piperidine-3-carboxylate
CID 55526839

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(methanesulfonamido)benzoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(methanesulfonamido)benzoyl]piperidine-3-carboxylate (CID 51163973) is ethyl 1-[2-(methanesulfonamido)benzoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(methanesulfonamido)benzoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(methanesulfonamido)benzoyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2ccccc2NS(C)(=O)=O)C1.
What is the InChIKey of ethyl 1-[2-(methanesulfonamido)benzoyl]piperidine-3-carboxylate?
The InChIKey is CJRAPNFSLKERDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-3-23-16(20)12-7-6-10-18(11-12)15(19)13-8-4-5-9-14(13)17-24(2,21)22/h4-5,8-9,12,17H,3,6-7,10-11H2,1-2H3.
What are the key properties of ethyl 1-[2-(methanesulfonamido)benzoyl]piperidine-3-carboxylate?
ethyl 1-[2-(methanesulfonamido)benzoyl]piperidine-3-carboxylate has a molecular weight of 354.43 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(methanesulfonamido)benzoyl]piperidine-3-carboxylate is sourced from PubChem (CID 51163973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).