1-acetyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

C13H18N2O2S — CID 17148668

IUPAC1-acetyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCc2cccs2)CC1
InChIInChI=1S/C13H18N2O2S/c1-10(16)15-6-4-11(5-7-15)13(17)14-9-12-3-2-8-18-12/h2-3,8,11H,4-7,9H2,1H3,(H,14,17)
InChIKeyHVIRSKYTOVHELW-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.62
Rot. Bonds3

About 1-acetyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

1-acetyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 17148668) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-acetyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID17148668
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name1-acetyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCc2cccs2)CC1
InChIInChI=1S/C13H18N2O2S/c1-10(16)15-6-4-11(5-7-15)13(17)14-9-12-3-2-8-18-12/h2-3,8,11H,4-7,9H2,1H3,(H,14,17)
InChIKeyHVIRSKYTOVHELW-UHFFFAOYSA-N
XLogP1.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 17148668) is 1-acetyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCc2cccs2)CC1.
What is the InChIKey of 1-acetyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is HVIRSKYTOVHELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-10(16)15-6-4-11(5-7-15)13(17)14-9-12-3-2-8-18-12/h2-3,8,11H,4-7,9H2,1H3,(H,14,17).
What are the key properties of 1-acetyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
1-acetyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 17148668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).