1-(3-thiophen-3-ylpropanoyl)piperidine-4-carboxamide

C13H18N2O2S — CID 9117696

IUPAC1-(3-thiophen-3-ylpropanoyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCc2ccsc2)CC1
InChIInChI=1S/C13H18N2O2S/c14-13(17)11-3-6-15(7-4-11)12(16)2-1-10-5-8-18-9-10/h5,8-9,11H,1-4,6-7H2,(H2,14,17)
InChIKeyJKCNMQDOMMLJBM-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.40
Rot. Bonds4

About 1-(3-thiophen-3-ylpropanoyl)piperidine-4-carboxamide

1-(3-thiophen-3-ylpropanoyl)piperidine-4-carboxamide (PubChem CID 9117696) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-(3-thiophen-3-ylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-thiophen-3-ylpropanoyl)piperidine-4-carboxamide
PubChem CID9117696
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name1-(3-thiophen-3-ylpropanoyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCc2ccsc2)CC1
InChIInChI=1S/C13H18N2O2S/c14-13(17)11-3-6-15(7-4-11)12(16)2-1-10-5-8-18-9-10/h5,8-9,11H,1-4,6-7H2,(H2,14,17)
InChIKeyJKCNMQDOMMLJBM-UHFFFAOYSA-N
XLogP1.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-thiophen-3-ylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-thiophen-3-ylpropanoyl)piperidine-4-carboxamide (CID 9117696) is 1-(3-thiophen-3-ylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-thiophen-3-ylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-thiophen-3-ylpropanoyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CCc2ccsc2)CC1.
What is the InChIKey of 1-(3-thiophen-3-ylpropanoyl)piperidine-4-carboxamide?
The InChIKey is JKCNMQDOMMLJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c14-13(17)11-3-6-15(7-4-11)12(16)2-1-10-5-8-18-9-10/h5,8-9,11H,1-4,6-7H2,(H2,14,17).
What are the key properties of 1-(3-thiophen-3-ylpropanoyl)piperidine-4-carboxamide?
1-(3-thiophen-3-ylpropanoyl)piperidine-4-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-thiophen-3-ylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 9117696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).