ethyl 1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidine-3-carboxylate

C18H26N2O5S — CID 46418830

IUPACethyl 1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CN(c2ccccc2C)S(C)(=O)=O)C1
InChIInChI=1S/C18H26N2O5S/c1-4-25-18(22)15-9-7-11-19(12-15)17(21)13-20(26(3,23)24)16-10-6-5-8-14(16)2/h5-6,8,10,15H,4,7,9,11-13H2,1-3H3
InChIKeyWFUIRZPNGZJUMS-UHFFFAOYSA-N
MW382.48 g/mol
LogP1.56
Rot. Bonds6

About ethyl 1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidine-3-carboxylate

ethyl 1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidine-3-carboxylate (PubChem CID 46418830) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is ethyl 1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidine-3-carboxylate
PubChem CID46418830
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Nameethyl 1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CN(c2ccccc2C)S(C)(=O)=O)C1
InChIInChI=1S/C18H26N2O5S/c1-4-25-18(22)15-9-7-11-19(12-15)17(21)13-20(26(3,23)24)16-10-6-5-8-14(16)2/h5-6,8,10,15H,4,7,9,11-13H2,1-3H3
InChIKeyWFUIRZPNGZJUMS-UHFFFAOYSA-N
XLogP1.56
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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 1-[2-(N-methylanilino)acetyl]piperidine-3-carboxylate
CID 78782540
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-(2-methylphenyl)sulfanylacetyl]piperidine-3-carboxylate
CID 78785099
ethyl 1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate
CID 126032460
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354
N-(2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113141653
ethyl 1-(2-methylsulfonylacetyl)piperidine-3-carboxylate
CID 61340322
ethyl 1-[2-[benzyl(2-hydroxyethyl)amino]acetyl]piperidine-3-carboxylate
CID 56809362
ethyl (3R)-1-[2-[benzyl(2-hydroxyethyl)amino]acetyl]piperidine-3-carboxylate
CID 95378613

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidine-3-carboxylate (CID 46418830) is ethyl 1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)CN(c2ccccc2C)S(C)(=O)=O)C1.
What is the InChIKey of ethyl 1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidine-3-carboxylate?
The InChIKey is WFUIRZPNGZJUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-4-25-18(22)15-9-7-11-19(12-15)17(21)13-20(26(3,23)24)16-10-6-5-8-14(16)2/h5-6,8,10,15H,4,7,9,11-13H2,1-3H3.
What are the key properties of ethyl 1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidine-3-carboxylate?
ethyl 1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidine-3-carboxylate has a molecular weight of 382.48 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 46418830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).