2-methoxy-N-(4-methylphenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]acetamide

C20H26N2O2S — CID 46054642

IUPAC2-methoxy-N-(4-methylphenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]acetamide
SMILESCOCC(=O)N(c1ccc(C)cc1)C1CCN(Cc2cccs2)CC1
InChIInChI=1S/C20H26N2O2S/c1-16-5-7-17(8-6-16)22(20(23)15-24-2)18-9-11-21(12-10-18)14-19-4-3-13-25-19/h3-8,13,18H,9-12,14-15H2,1-2H3
InChIKeyPDLODJCSADPMSZ-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.70
Rot. Bonds6

About 2-methoxy-N-(4-methylphenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]acetamide

2-methoxy-N-(4-methylphenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]acetamide (PubChem CID 46054642) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-methoxy-N-(4-methylphenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-(4-methylphenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]acetamide
PubChem CID46054642
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name2-methoxy-N-(4-methylphenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]acetamide
SMILESCOCC(=O)N(c1ccc(C)cc1)C1CCN(Cc2cccs2)CC1
InChIInChI=1S/C20H26N2O2S/c1-16-5-7-17(8-6-16)22(20(23)15-24-2)18-9-11-21(12-10-18)14-19-4-3-13-25-19/h3-8,13,18H,9-12,14-15H2,1-2H3
InChIKeyPDLODJCSADPMSZ-UHFFFAOYSA-N
XLogP3.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(4-methylphenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-methoxy-N-(4-methylphenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]acetamide (CID 46054642) is 2-methoxy-N-(4-methylphenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-(4-methylphenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-methoxy-N-(4-methylphenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]acetamide is COCC(=O)N(c1ccc(C)cc1)C1CCN(Cc2cccs2)CC1.
What is the InChIKey of 2-methoxy-N-(4-methylphenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]acetamide?
The InChIKey is PDLODJCSADPMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-16-5-7-17(8-6-16)22(20(23)15-24-2)18-9-11-21(12-10-18)14-19-4-3-13-25-19/h3-8,13,18H,9-12,14-15H2,1-2H3.
What are the key properties of 2-methoxy-N-(4-methylphenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]acetamide?
2-methoxy-N-(4-methylphenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]acetamide has a molecular weight of 358.51 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(4-methylphenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 46054642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).