1-N-[(5-methylthiophen-2-yl)methyl]piperidine-1,4-dicarboxamide

C13H19N3O2S — CID 47238607

IUPAC1-N-[(5-methylthiophen-2-yl)methyl]piperidine-1,4-dicarboxamide
SMILESCc1ccc(CNC(=O)N2CCC(C(N)=O)CC2)s1
InChIInChI=1S/C13H19N3O2S/c1-9-2-3-11(19-9)8-15-13(18)16-6-4-10(5-7-16)12(14)17/h2-3,10H,4-8H2,1H3,(H2,14,17)(H,15,18)
InChIKeyQQMGKXHNKWFACG-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.46
Rot. Bonds3

About 1-N-[(5-methylthiophen-2-yl)methyl]piperidine-1,4-dicarboxamide

1-N-[(5-methylthiophen-2-yl)methyl]piperidine-1,4-dicarboxamide (PubChem CID 47238607) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-N-[(5-methylthiophen-2-yl)methyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(5-methylthiophen-2-yl)methyl]piperidine-1,4-dicarboxamide
PubChem CID47238607
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name1-N-[(5-methylthiophen-2-yl)methyl]piperidine-1,4-dicarboxamide
SMILESCc1ccc(CNC(=O)N2CCC(C(N)=O)CC2)s1
InChIInChI=1S/C13H19N3O2S/c1-9-2-3-11(19-9)8-15-13(18)16-6-4-10(5-7-16)12(14)17/h2-3,10H,4-8H2,1H3,(H2,14,17)(H,15,18)
InChIKeyQQMGKXHNKWFACG-UHFFFAOYSA-N
XLogP1.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(5-methylthiophen-2-yl)methyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[(5-methylthiophen-2-yl)methyl]piperidine-1,4-dicarboxamide (CID 47238607) is 1-N-[(5-methylthiophen-2-yl)methyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(5-methylthiophen-2-yl)methyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(5-methylthiophen-2-yl)methyl]piperidine-1,4-dicarboxamide is Cc1ccc(CNC(=O)N2CCC(C(N)=O)CC2)s1.
What is the InChIKey of 1-N-[(5-methylthiophen-2-yl)methyl]piperidine-1,4-dicarboxamide?
The InChIKey is QQMGKXHNKWFACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-9-2-3-11(19-9)8-15-13(18)16-6-4-10(5-7-16)12(14)17/h2-3,10H,4-8H2,1H3,(H2,14,17)(H,15,18).
What are the key properties of 1-N-[(5-methylthiophen-2-yl)methyl]piperidine-1,4-dicarboxamide?
1-N-[(5-methylthiophen-2-yl)methyl]piperidine-1,4-dicarboxamide has a molecular weight of 281.38 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(5-methylthiophen-2-yl)methyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 47238607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).