ethyl 4-[[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carbonyl]amino]benzoate

C23H25N3O3S — CID 46395448

IUPACethyl 4-[[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2CCN(c3nccc4sc(C)cc34)CC2)cc1
InChIInChI=1S/C23H25N3O3S/c1-3-29-23(28)17-4-6-18(7-5-17)25-22(27)16-9-12-26(13-10-16)21-19-14-15(2)30-20(19)8-11-24-21/h4-8,11,14,16H,3,9-10,12-13H2,1-2H3,(H,25,27)
InChIKeyOQRPUSVDMCIUIO-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.64
Rot. Bonds5

About ethyl 4-[[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carbonyl]amino]benzoate

ethyl 4-[[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carbonyl]amino]benzoate (PubChem CID 46395448) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is ethyl 4-[[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carbonyl]amino]benzoate
PubChem CID46395448
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Nameethyl 4-[[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2CCN(c3nccc4sc(C)cc34)CC2)cc1
InChIInChI=1S/C23H25N3O3S/c1-3-29-23(28)17-4-6-18(7-5-17)25-22(27)16-9-12-26(13-10-16)21-19-14-15(2)30-20(19)8-11-24-21/h4-8,11,14,16H,3,9-10,12-13H2,1-2H3,(H,25,27)
InChIKeyOQRPUSVDMCIUIO-UHFFFAOYSA-N
XLogP4.64
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carbonyl]amino]benzoate (CID 46395448) is ethyl 4-[[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)C2CCN(c3nccc4sc(C)cc34)CC2)cc1.
What is the InChIKey of ethyl 4-[[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carbonyl]amino]benzoate?
The InChIKey is OQRPUSVDMCIUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-3-29-23(28)17-4-6-18(7-5-17)25-22(27)16-9-12-26(13-10-16)21-19-14-15(2)30-20(19)8-11-24-21/h4-8,11,14,16H,3,9-10,12-13H2,1-2H3,(H,25,27).
What are the key properties of ethyl 4-[[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carbonyl]amino]benzoate?
ethyl 4-[[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carbonyl]amino]benzoate has a molecular weight of 423.54 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 46395448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).