ethyl 4-(2,3-dihydro-1-benzothiophene-2-carbonylamino)piperidine-1-carboxylate

C17H22N2O3S — CID 51314246

IUPACethyl 4-(2,3-dihydro-1-benzothiophene-2-carbonylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2Cc3ccccc3S2)CC1
InChIInChI=1S/C17H22N2O3S/c1-2-22-17(21)19-9-7-13(8-10-19)18-16(20)15-11-12-5-3-4-6-14(12)23-15/h3-6,13,15H,2,7-11H2,1H3,(H,18,20)
InChIKeyBIVNYLFOSUZYSZ-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.44
Rot. Bonds3

About ethyl 4-(2,3-dihydro-1-benzothiophene-2-carbonylamino)piperidine-1-carboxylate

ethyl 4-(2,3-dihydro-1-benzothiophene-2-carbonylamino)piperidine-1-carboxylate (PubChem CID 51314246) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is ethyl 4-(2,3-dihydro-1-benzothiophene-2-carbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,3-dihydro-1-benzothiophene-2-carbonylamino)piperidine-1-carboxylate
PubChem CID51314246
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Nameethyl 4-(2,3-dihydro-1-benzothiophene-2-carbonylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2Cc3ccccc3S2)CC1
InChIInChI=1S/C17H22N2O3S/c1-2-22-17(21)19-9-7-13(8-10-19)18-16(20)15-11-12-5-3-4-6-14(12)23-15/h3-6,13,15H,2,7-11H2,1H3,(H,18,20)
InChIKeyBIVNYLFOSUZYSZ-UHFFFAOYSA-N
XLogP2.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 99939190
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CID 97276064
ethyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]piperidine-1-carboxylate
CID 78639869
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[[N'-(2-benzamidoethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111042717
ethyl 4-[[N'-(thiophen-2-ylmethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111026488
ethyl 4-[[N'-[2-[benzyl(methyl)amino]ethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111078737
ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 55472237
ethyl 4-(3,4-dihydro-2H-chromene-4-carbonylamino)piperidine-1-carboxylate
CID 110648883
ethyl 4-[[2-[methyl(phenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 109138897
ethyl 4-[[N'-(2-phenoxyethyl)carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111028449

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,3-dihydro-1-benzothiophene-2-carbonylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(2,3-dihydro-1-benzothiophene-2-carbonylamino)piperidine-1-carboxylate (CID 51314246) is ethyl 4-(2,3-dihydro-1-benzothiophene-2-carbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2,3-dihydro-1-benzothiophene-2-carbonylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(2,3-dihydro-1-benzothiophene-2-carbonylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C2Cc3ccccc3S2)CC1.
What is the InChIKey of ethyl 4-(2,3-dihydro-1-benzothiophene-2-carbonylamino)piperidine-1-carboxylate?
The InChIKey is BIVNYLFOSUZYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-2-22-17(21)19-9-7-13(8-10-19)18-16(20)15-11-12-5-3-4-6-14(12)23-15/h3-6,13,15H,2,7-11H2,1H3,(H,18,20).
What are the key properties of ethyl 4-(2,3-dihydro-1-benzothiophene-2-carbonylamino)piperidine-1-carboxylate?
ethyl 4-(2,3-dihydro-1-benzothiophene-2-carbonylamino)piperidine-1-carboxylate has a molecular weight of 334.44 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,3-dihydro-1-benzothiophene-2-carbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 51314246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).