N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-thiophen-2-ylacetamide

C15H24N2OS — CID 16895437

IUPACN-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-thiophen-2-ylacetamide
SMILESCC(C)N1CCC(CNC(=O)Cc2cccs2)CC1
InChIInChI=1S/C15H24N2OS/c1-12(2)17-7-5-13(6-8-17)11-16-15(18)10-14-4-3-9-19-14/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,16,18)
InChIKeyGCJOBDGXHSXJHZ-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.53
Rot. Bonds5

About N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-thiophen-2-ylacetamide

N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 16895437) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-thiophen-2-ylacetamide
PubChem CID16895437
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-thiophen-2-ylacetamide
SMILESCC(C)N1CCC(CNC(=O)Cc2cccs2)CC1
InChIInChI=1S/C15H24N2OS/c1-12(2)17-7-5-13(6-8-17)11-16-15(18)10-14-4-3-9-19-14/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,16,18)
InChIKeyGCJOBDGXHSXJHZ-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-thiophen-2-ylacetamide (CID 16895437) is N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-thiophen-2-ylacetamide is CC(C)N1CCC(CNC(=O)Cc2cccs2)CC1.
What is the InChIKey of N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is GCJOBDGXHSXJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-12(2)17-7-5-13(6-8-17)11-16-15(18)10-14-4-3-9-19-14/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,16,18).
What are the key properties of N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-thiophen-2-ylacetamide?
N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 280.44 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 16895437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).