2-phenoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propanamide

C20H26N2O2S — CID 121110194

IUPAC2-phenoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)NCCN1CCC(c2cccs2)CC1
InChIInChI=1S/C20H26N2O2S/c1-16(24-18-6-3-2-4-7-18)20(23)21-11-14-22-12-9-17(10-13-22)19-8-5-15-25-19/h2-8,15-17H,9-14H2,1H3,(H,21,23)
InChIKeyZOSKKERLPFNGOG-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.51
Rot. Bonds7

About 2-phenoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propanamide

2-phenoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propanamide (PubChem CID 121110194) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-phenoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-phenoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propanamide
PubChem CID121110194
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name2-phenoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)NCCN1CCC(c2cccs2)CC1
InChIInChI=1S/C20H26N2O2S/c1-16(24-18-6-3-2-4-7-18)20(23)21-11-14-22-12-9-17(10-13-22)19-8-5-15-25-19/h2-8,15-17H,9-14H2,1H3,(H,21,23)
InChIKeyZOSKKERLPFNGOG-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-2-phenoxypropanamide
CID 86929905
1-benzhydryl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
CID 90522912
4-ethoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 71787078
1-(4-methoxyphenyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
CID 90522886
2-phenoxy-N-(3-piperazin-1-ylpropyl)propanamide
CID 119394204
2-ethylsulfanyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 71787089
N'-[(3-methoxyphenyl)methyl]-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide
CID 90522839
1-(2,4-dimethoxyphenyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
CID 90522902
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
2-cyclohexyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide
CID 90522568
4-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 90522657
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 2-phenoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propanamide?
The IUPAC name of 2-phenoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propanamide (CID 121110194) is 2-phenoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-phenoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propanamide?
The canonical SMILES for 2-phenoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propanamide is CC(Oc1ccccc1)C(=O)NCCN1CCC(c2cccs2)CC1.
What is the InChIKey of 2-phenoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propanamide?
The InChIKey is ZOSKKERLPFNGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-16(24-18-6-3-2-4-7-18)20(23)21-11-14-22-12-9-17(10-13-22)19-8-5-15-25-19/h2-8,15-17H,9-14H2,1H3,(H,21,23).
What are the key properties of 2-phenoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propanamide?
2-phenoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propanamide has a molecular weight of 358.51 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 121110194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).