N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-piperidin-1-ylacetamide

C21H26N2O3S — CID 2814368

IUPACN-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-piperidin-1-ylacetamide
SMILESCCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)CN2CCCCC2)s1
InChIInChI=1S/C21H26N2O3S/c1-3-17-13-18(20(25)15-7-9-16(26-2)10-8-15)21(27-17)22-19(24)14-23-11-5-4-6-12-23/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,22,24)
InChIKeyODZRGFDFRMGEBX-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.97
Rot. Bonds7

About N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-piperidin-1-ylacetamide

N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-piperidin-1-ylacetamide (PubChem CID 2814368) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-piperidin-1-ylacetamide
PubChem CID2814368
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-piperidin-1-ylacetamide
SMILESCCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)CN2CCCCC2)s1
InChIInChI=1S/C21H26N2O3S/c1-3-17-13-18(20(25)15-7-9-16(26-2)10-8-15)21(27-17)22-19(24)14-23-11-5-4-6-12-23/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,22,24)
InChIKeyODZRGFDFRMGEBX-UHFFFAOYSA-N
XLogP3.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-piperidin-1-ylacetamide (CID 2814368) is N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-piperidin-1-ylacetamide is CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)CN2CCCCC2)s1.
What is the InChIKey of N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-piperidin-1-ylacetamide?
The InChIKey is ODZRGFDFRMGEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-3-17-13-18(20(25)15-7-9-16(26-2)10-8-15)21(27-17)22-19(24)14-23-11-5-4-6-12-23/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,22,24).
What are the key properties of N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-piperidin-1-ylacetamide?
N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-piperidin-1-ylacetamide has a molecular weight of 386.52 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 2814368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).