ethyl 1-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxylate

C18H26N2O6S — CID 30148619

IUPACethyl 1-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(N(C)S(C)(=O)=O)ccc2OC)CC1
InChIInChI=1S/C18H26N2O6S/c1-5-26-18(22)13-8-10-20(11-9-13)17(21)15-12-14(6-7-16(15)25-3)19(2)27(4,23)24/h6-7,12-13H,5,8-11H2,1-4H3
InChIKeyLCUVQSZKZYKMEP-UHFFFAOYSA-N
MW398.48 g/mol
LogP1.51
Rot. Bonds6

About ethyl 1-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxylate

ethyl 1-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxylate (PubChem CID 30148619) has the molecular formula C18H26N2O6S and a molecular weight of 398.48 g/mol. Its IUPAC name is ethyl 1-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxylate
PubChem CID30148619
Molecular FormulaC18H26N2O6S
Molecular Weight398.48 g/mol
Exact Mass398.15
IUPAC Nameethyl 1-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(N(C)S(C)(=O)=O)ccc2OC)CC1
InChIInChI=1S/C18H26N2O6S/c1-5-26-18(22)13-8-10-20(11-9-13)17(21)15-12-14(6-7-16(15)25-3)19(2)27(4,23)24/h6-7,12-13H,5,8-11H2,1-4H3
InChIKeyLCUVQSZKZYKMEP-UHFFFAOYSA-N
XLogP1.51
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperazine-1-carboxylate
CID 30148645
N-[3-(4-ethylpiperazine-1-carbonyl)-4-methoxyphenyl]-N-methylmethanesulfonamide
CID 30148664
ethyl 1-(5-fluoro-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761172
ethyl 1-(5-bromo-2-methoxybenzoyl)piperidine-4-carboxylate
CID 17230871
ethyl 1-(5-ethyl-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761989
ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-4-carboxylate
CID 110763374
N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-N-methylmethanesulfonamide
CID 30148628
1-[4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxamide
CID 30148326
ethyl 1-[2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanoyl]piperidine-4-carboxylate
CID 133265202
ethyl 1-(2,4,5-trimethylbenzoyl)piperidine-4-carboxylate
CID 95970660
ethyl 1-(3-methoxypyridine-4-carbonyl)piperidine-4-carboxylate
CID 105064219
ethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 59322202

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxylate (CID 30148619) is ethyl 1-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cc(N(C)S(C)(=O)=O)ccc2OC)CC1.
What is the InChIKey of ethyl 1-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxylate?
The InChIKey is LCUVQSZKZYKMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O6S/c1-5-26-18(22)13-8-10-20(11-9-13)17(21)15-12-14(6-7-16(15)25-3)19(2)27(4,23)24/h6-7,12-13H,5,8-11H2,1-4H3.
What are the key properties of ethyl 1-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxylate?
ethyl 1-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxylate has a molecular weight of 398.48 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxylate is sourced from PubChem (CID 30148619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).