ethyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate

C20H30N2O5S — CID 30267760

IUPACethyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)CC1
InChIInChI=1S/C20H30N2O5S/c1-5-27-20(24)16-10-12-21(13-11-16)19(23)14-22(28(4,25)26)18-9-7-6-8-17(18)15(2)3/h6-9,15-16H,5,10-14H2,1-4H3
InChIKeyHQESUHVMCIMJQG-UHFFFAOYSA-N
MW410.54 g/mol
LogP2.38
Rot. Bonds7

About ethyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate

ethyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate (PubChem CID 30267760) has the molecular formula C20H30N2O5S and a molecular weight of 410.54 g/mol. Its IUPAC name is ethyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate
PubChem CID30267760
Molecular FormulaC20H30N2O5S
Molecular Weight410.54 g/mol
Exact Mass410.19
IUPAC Nameethyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)CC1
InChIInChI=1S/C20H30N2O5S/c1-5-27-20(24)16-10-12-21(13-11-16)19(23)14-22(28(4,25)26)18-9-7-6-8-17(18)15(2)3/h6-9,15-16H,5,10-14H2,1-4H3
InChIKeyHQESUHVMCIMJQG-UHFFFAOYSA-N
XLogP2.38
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate
CID 30273706
ethyl 1-[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate
CID 1076442
ethyl 1-[2-(2-methoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate
CID 1076344
ethyl 2-(N-methylsulfonyl-2-propan-2-ylanilino)acetate
CID 50893699
ethyl 1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate
CID 126032460
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)methanesulfonamide
CID 30262751
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
ethyl 4-[2-(2-ethyl-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate
CID 1148753
N-(2-ethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 846617
1-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide
CID 126031859
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-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate (CID 30267760) is ethyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)CC1.
What is the InChIKey of ethyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate?
The InChIKey is HQESUHVMCIMJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O5S/c1-5-27-20(24)16-10-12-21(13-11-16)19(23)14-22(28(4,25)26)18-9-7-6-8-17(18)15(2)3/h6-9,15-16H,5,10-14H2,1-4H3.
What are the key properties of ethyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate has a molecular weight of 410.54 g/mol, XLogP of 2.38, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 30267760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).