4-ethoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide

C20H26N2O2S — CID 71787078

IUPAC4-ethoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCN2CCC(c3cccs3)CC2)cc1
InChIInChI=1S/C20H26N2O2S/c1-2-24-18-7-5-17(6-8-18)20(23)21-11-14-22-12-9-16(10-13-22)19-4-3-15-25-19/h3-8,15-16H,2,9-14H2,1H3,(H,21,23)
InChIKeyBJYHLVOGVCELIP-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.76
Rot. Bonds7

About 4-ethoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide

4-ethoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide (PubChem CID 71787078) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
PubChem CID71787078
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name4-ethoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCN2CCC(c3cccs3)CC2)cc1
InChIInChI=1S/C20H26N2O2S/c1-2-24-18-7-5-17(6-8-18)20(23)21-11-14-22-12-9-16(10-13-22)19-4-3-15-25-19/h3-8,15-16H,2,9-14H2,1H3,(H,21,23)
InChIKeyBJYHLVOGVCELIP-UHFFFAOYSA-N
XLogP3.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 90522657
4-ethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237098
1-(4-methoxyphenyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
CID 90522886
2-ethylsulfanyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 71787089
2-phenoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propanamide
CID 121110194
4-propyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiadiazole-5-carboxamide
CID 71787081
4-chloro-3-nitro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 90522661
5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 90522639
1-(2,4-dimethoxyphenyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
CID 90522902
2,4-difluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 90522591
2-cyclohexyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide
CID 90522568
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide
CID 90522589

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide (CID 71787078) is 4-ethoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide is CCOc1ccc(C(=O)NCCN2CCC(c3cccs3)CC2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide?
The InChIKey is BJYHLVOGVCELIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-2-24-18-7-5-17(6-8-18)20(23)21-11-14-22-12-9-16(10-13-22)19-4-3-15-25-19/h3-8,15-16H,2,9-14H2,1H3,(H,21,23).
What are the key properties of 4-ethoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide?
4-ethoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide has a molecular weight of 358.51 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 71787078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).