1-(4-oxo-4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide

C14H18N2O3S — CID 4878804

IUPAC1-(4-oxo-4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)CCC(=O)c2cccs2)C1
InChIInChI=1S/C14H18N2O3S/c15-14(19)10-3-1-7-16(9-10)13(18)6-5-11(17)12-4-2-8-20-12/h2,4,8,10H,1,3,5-7,9H2,(H2,15,19)
InChIKeyAGHXEEQYYLOXNF-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.43
Rot. Bonds5

About 1-(4-oxo-4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide

1-(4-oxo-4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide (PubChem CID 4878804) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-(4-oxo-4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-oxo-4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide
PubChem CID4878804
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name1-(4-oxo-4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)CCC(=O)c2cccs2)C1
InChIInChI=1S/C14H18N2O3S/c15-14(19)10-3-1-7-16(9-10)13(18)6-5-11(17)12-4-2-8-20-12/h2,4,8,10H,1,3,5-7,9H2,(H2,15,19)
InChIKeyAGHXEEQYYLOXNF-UHFFFAOYSA-N
XLogP1.43
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-oxo-4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-oxo-4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide (CID 4878804) is 1-(4-oxo-4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-oxo-4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-oxo-4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)CCC(=O)c2cccs2)C1.
What is the InChIKey of 1-(4-oxo-4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide?
The InChIKey is AGHXEEQYYLOXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c15-14(19)10-3-1-7-16(9-10)13(18)6-5-11(17)12-4-2-8-20-12/h2,4,8,10H,1,3,5-7,9H2,(H2,15,19).
What are the key properties of 1-(4-oxo-4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide?
1-(4-oxo-4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-oxo-4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 4878804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).