2-[3-(4-methylpiperidin-1-yl)propanoylamino]thiophene-3-carboxamide

C14H21N3O2S — CID 51074865

IUPAC2-[3-(4-methylpiperidin-1-yl)propanoylamino]thiophene-3-carboxamide
SMILESCC1CCN(CCC(=O)Nc2sccc2C(N)=O)CC1
InChIInChI=1S/C14H21N3O2S/c1-10-2-6-17(7-3-10)8-4-12(18)16-14-11(13(15)19)5-9-20-14/h5,9-10H,2-4,6-8H2,1H3,(H2,15,19)(H,16,18)
InChIKeyTYLSSBAROCYCFA-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.91
Rot. Bonds5

About 2-[3-(4-methylpiperidin-1-yl)propanoylamino]thiophene-3-carboxamide

2-[3-(4-methylpiperidin-1-yl)propanoylamino]thiophene-3-carboxamide (PubChem CID 51074865) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-[3-(4-methylpiperidin-1-yl)propanoylamino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[3-(4-methylpiperidin-1-yl)propanoylamino]thiophene-3-carboxamide
PubChem CID51074865
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name2-[3-(4-methylpiperidin-1-yl)propanoylamino]thiophene-3-carboxamide
SMILESCC1CCN(CCC(=O)Nc2sccc2C(N)=O)CC1
InChIInChI=1S/C14H21N3O2S/c1-10-2-6-17(7-3-10)8-4-12(18)16-14-11(13(15)19)5-9-20-14/h5,9-10H,2-4,6-8H2,1H3,(H2,15,19)(H,16,18)
InChIKeyTYLSSBAROCYCFA-UHFFFAOYSA-N
XLogP1.91
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylpiperidin-1-yl)propanoylamino]thiophene-3-carboxamide?
The IUPAC name of 2-[3-(4-methylpiperidin-1-yl)propanoylamino]thiophene-3-carboxamide (CID 51074865) is 2-[3-(4-methylpiperidin-1-yl)propanoylamino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[3-(4-methylpiperidin-1-yl)propanoylamino]thiophene-3-carboxamide?
The canonical SMILES for 2-[3-(4-methylpiperidin-1-yl)propanoylamino]thiophene-3-carboxamide is CC1CCN(CCC(=O)Nc2sccc2C(N)=O)CC1.
What is the InChIKey of 2-[3-(4-methylpiperidin-1-yl)propanoylamino]thiophene-3-carboxamide?
The InChIKey is TYLSSBAROCYCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-10-2-6-17(7-3-10)8-4-12(18)16-14-11(13(15)19)5-9-20-14/h5,9-10H,2-4,6-8H2,1H3,(H2,15,19)(H,16,18).
What are the key properties of 2-[3-(4-methylpiperidin-1-yl)propanoylamino]thiophene-3-carboxamide?
2-[3-(4-methylpiperidin-1-yl)propanoylamino]thiophene-3-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylpiperidin-1-yl)propanoylamino]thiophene-3-carboxamide is sourced from PubChem (CID 51074865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).