N-(1-benzylpiperidin-4-yl)-2-thiophen-2-ylacetamide

C18H22N2OS — CID 2712605

IUPACN-(1-benzylpiperidin-4-yl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H22N2OS/c21-18(13-17-7-4-12-22-17)19-16-8-10-20(11-9-16)14-15-5-2-1-3-6-15/h1-7,12,16H,8-11,13-14H2,(H,19,21)
InChIKeyPYDAINAPBPYEQW-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.07
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-2-thiophen-2-ylacetamide

N-(1-benzylpiperidin-4-yl)-2-thiophen-2-ylacetamide (PubChem CID 2712605) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-thiophen-2-ylacetamide
PubChem CID2712605
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H22N2OS/c21-18(13-17-7-4-12-22-17)19-16-8-10-20(11-9-16)14-15-5-2-1-3-6-15/h1-7,12,16H,8-11,13-14H2,(H,19,21)
InChIKeyPYDAINAPBPYEQW-UHFFFAOYSA-N
XLogP3.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-thiophen-2-ylacetamide (CID 2712605) is N-(1-benzylpiperidin-4-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-thiophen-2-ylacetamide?
The InChIKey is PYDAINAPBPYEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c21-18(13-17-7-4-12-22-17)19-16-8-10-20(11-9-16)14-15-5-2-1-3-6-15/h1-7,12,16H,8-11,13-14H2,(H,19,21).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-thiophen-2-ylacetamide?
N-(1-benzylpiperidin-4-yl)-2-thiophen-2-ylacetamide has a molecular weight of 314.45 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 2712605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).