ethyl 1-[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate

C19H28N2O6S — CID 1076442

IUPACethyl 1-[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN(c2ccccc2OCC)S(C)(=O)=O)CC1
InChIInChI=1S/C19H28N2O6S/c1-4-26-17-9-7-6-8-16(17)21(28(3,24)25)14-18(22)20-12-10-15(11-13-20)19(23)27-5-2/h6-9,15H,4-5,10-14H2,1-3H3
InChIKeyNJZSALPZIFZFRF-UHFFFAOYSA-N
MW412.51 g/mol
LogP1.65
Rot. Bonds8

About ethyl 1-[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate

ethyl 1-[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate (PubChem CID 1076442) has the molecular formula C19H28N2O6S and a molecular weight of 412.51 g/mol. Its IUPAC name is ethyl 1-[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate
PubChem CID1076442
Molecular FormulaC19H28N2O6S
Molecular Weight412.51 g/mol
Exact Mass412.17
IUPAC Nameethyl 1-[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN(c2ccccc2OCC)S(C)(=O)=O)CC1
InChIInChI=1S/C19H28N2O6S/c1-4-26-17-9-7-6-8-16(17)21(28(3,24)25)14-18(22)20-12-10-15(11-13-20)19(23)27-5-2/h6-9,15H,4-5,10-14H2,1-3H3
InChIKeyNJZSALPZIFZFRF-UHFFFAOYSA-N
XLogP1.65
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[2-(2-methoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate
CID 1076344
ethyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate
CID 30267760
N-(2-ethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 846617
ethyl 1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate
CID 126032460
ethyl 1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidine-3-carboxylate
CID 46418830
ethyl 1-[2-[N-(dimethylsulfamoyl)anilino]acetyl]piperidine-4-carboxylate
CID 6456631
methyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate
CID 30273706
2-(2-ethoxy-N-methylsulfonylanilino)-N,N-dimethylacetamide
CID 30168858
1-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide
CID 126031859
N-(2-ethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 1120540
ethyl 4-[2-(2-ethyl-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate
CID 1148753
1-[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]piperidine-4-carboxamide
CID 126035425

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate (CID 1076442) is ethyl 1-[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CN(c2ccccc2OCC)S(C)(=O)=O)CC1.
What is the InChIKey of ethyl 1-[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate?
The InChIKey is NJZSALPZIFZFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O6S/c1-4-26-17-9-7-6-8-16(17)21(28(3,24)25)14-18(22)20-12-10-15(11-13-20)19(23)27-5-2/h6-9,15H,4-5,10-14H2,1-3H3.
What are the key properties of ethyl 1-[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate has a molecular weight of 412.51 g/mol, XLogP of 1.65, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 1076442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).