1-N,1-N-dimethyl-4-N-(thiophen-2-ylmethyl)piperidine-1,4-dicarboxamide

C14H21N3O2S — CID 3239396

IUPAC1-N,1-N-dimethyl-4-N-(thiophen-2-ylmethyl)piperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NCc2cccs2)CC1
InChIInChI=1S/C14H21N3O2S/c1-16(2)14(19)17-7-5-11(6-8-17)13(18)15-10-12-4-3-9-20-12/h3-4,9,11H,5-8,10H2,1-2H3,(H,15,18)
InChIKeyCQMFOVQUSIYPNP-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.76
Rot. Bonds3

About 1-N,1-N-dimethyl-4-N-(thiophen-2-ylmethyl)piperidine-1,4-dicarboxamide

1-N,1-N-dimethyl-4-N-(thiophen-2-ylmethyl)piperidine-1,4-dicarboxamide (PubChem CID 3239396) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-4-N-(thiophen-2-ylmethyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N-dimethyl-4-N-(thiophen-2-ylmethyl)piperidine-1,4-dicarboxamide
PubChem CID3239396
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name1-N,1-N-dimethyl-4-N-(thiophen-2-ylmethyl)piperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NCc2cccs2)CC1
InChIInChI=1S/C14H21N3O2S/c1-16(2)14(19)17-7-5-11(6-8-17)13(18)15-10-12-4-3-9-20-12/h3-4,9,11H,5-8,10H2,1-2H3,(H,15,18)
InChIKeyCQMFOVQUSIYPNP-UHFFFAOYSA-N
XLogP1.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-4-N-(thiophen-2-ylmethyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N,1-N-dimethyl-4-N-(thiophen-2-ylmethyl)piperidine-1,4-dicarboxamide (CID 3239396) is 1-N,1-N-dimethyl-4-N-(thiophen-2-ylmethyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N,1-N-dimethyl-4-N-(thiophen-2-ylmethyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N,1-N-dimethyl-4-N-(thiophen-2-ylmethyl)piperidine-1,4-dicarboxamide is CN(C)C(=O)N1CCC(C(=O)NCc2cccs2)CC1.
What is the InChIKey of 1-N,1-N-dimethyl-4-N-(thiophen-2-ylmethyl)piperidine-1,4-dicarboxamide?
The InChIKey is CQMFOVQUSIYPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-16(2)14(19)17-7-5-11(6-8-17)13(18)15-10-12-4-3-9-20-12/h3-4,9,11H,5-8,10H2,1-2H3,(H,15,18).
What are the key properties of 1-N,1-N-dimethyl-4-N-(thiophen-2-ylmethyl)piperidine-1,4-dicarboxamide?
1-N,1-N-dimethyl-4-N-(thiophen-2-ylmethyl)piperidine-1,4-dicarboxamide has a molecular weight of 295.41 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-4-N-(thiophen-2-ylmethyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 3239396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).