N-(1-benzylpiperidin-4-yl)-2-thiophen-3-ylacetamide

C18H22N2OS — CID 10925078

IUPACN-(1-benzylpiperidin-4-yl)-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H22N2OS/c21-18(12-16-8-11-22-14-16)19-17-6-9-20(10-7-17)13-15-4-2-1-3-5-15/h1-5,8,11,14,17H,6-7,9-10,12-13H2,(H,19,21)
InChIKeyAELHXIOYKDLLHX-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.07
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-2-thiophen-3-ylacetamide

N-(1-benzylpiperidin-4-yl)-2-thiophen-3-ylacetamide (PubChem CID 10925078) 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-3-ylacetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-thiophen-3-ylacetamide
PubChem CID10925078
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H22N2OS/c21-18(12-16-8-11-22-14-16)19-17-6-9-20(10-7-17)13-15-4-2-1-3-5-15/h1-5,8,11,14,17H,6-7,9-10,12-13H2,(H,19,21)
InChIKeyAELHXIOYKDLLHX-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-3-ylacetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-thiophen-3-ylacetamide (CID 10925078) is N-(1-benzylpiperidin-4-yl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-thiophen-3-ylacetamide?
The InChIKey is AELHXIOYKDLLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c21-18(12-16-8-11-22-14-16)19-17-6-9-20(10-7-17)13-15-4-2-1-3-5-15/h1-5,8,11,14,17H,6-7,9-10,12-13H2,(H,19,21).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-thiophen-3-ylacetamide?
N-(1-benzylpiperidin-4-yl)-2-thiophen-3-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-3-ylacetamide is sourced from PubChem (CID 10925078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).