N-(4-methylphenyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetamide

C19H24N2OS — CID 46054589

IUPACN-(4-methylphenyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetamide
SMILESCC(=O)N(c1ccc(C)cc1)C1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C19H24N2OS/c1-15-3-5-18(6-4-15)21(16(2)22)19-7-10-20(11-8-19)13-17-9-12-23-14-17/h3-6,9,12,14,19H,7-8,10-11,13H2,1-2H3
InChIKeyPHDKOCCLLAIUEF-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.07
Rot. Bonds4

About N-(4-methylphenyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetamide

N-(4-methylphenyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetamide (PubChem CID 46054589) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetamide
PubChem CID46054589
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC NameN-(4-methylphenyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetamide
SMILESCC(=O)N(c1ccc(C)cc1)C1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C19H24N2OS/c1-15-3-5-18(6-4-15)21(16(2)22)19-7-10-20(11-8-19)13-17-9-12-23-14-17/h3-6,9,12,14,19H,7-8,10-11,13H2,1-2H3
InChIKeyPHDKOCCLLAIUEF-UHFFFAOYSA-N
XLogP4.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetamide?
The IUPAC name of N-(4-methylphenyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetamide (CID 46054589) is N-(4-methylphenyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetamide is CC(=O)N(c1ccc(C)cc1)C1CCN(Cc2ccsc2)CC1.
What is the InChIKey of N-(4-methylphenyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetamide?
The InChIKey is PHDKOCCLLAIUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-15-3-5-18(6-4-15)21(16(2)22)19-7-10-20(11-8-19)13-17-9-12-23-14-17/h3-6,9,12,14,19H,7-8,10-11,13H2,1-2H3.
What are the key properties of N-(4-methylphenyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetamide?
N-(4-methylphenyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetamide has a molecular weight of 328.48 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 46054589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).