1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide

C18H21N3O2S — CID 3222834

IUPAC1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide
SMILESO=C(NCc1cccs1)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C18H21N3O2S/c22-17(19-12-16-9-5-11-24-16)14-6-4-10-21(13-14)18(23)20-15-7-2-1-3-8-15/h1-3,5,7-9,11,14H,4,6,10,12-13H2,(H,19,22)(H,20,23)
InChIKeyLBHGWEFJDGUUAS-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.31
Rot. Bonds4

About 1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide

1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide (PubChem CID 3222834) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide
PubChem CID3222834
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide
SMILESO=C(NCc1cccs1)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C18H21N3O2S/c22-17(19-12-16-9-5-11-24-16)14-6-4-10-21(13-14)18(23)20-15-7-2-1-3-8-15/h1-3,5,7-9,11,14H,4,6,10,12-13H2,(H,19,22)(H,20,23)
InChIKeyLBHGWEFJDGUUAS-UHFFFAOYSA-N
XLogP3.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide (CID 3222834) is 1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide is O=C(NCc1cccs1)C1CCCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide?
The InChIKey is LBHGWEFJDGUUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c22-17(19-12-16-9-5-11-24-16)14-6-4-10-21(13-14)18(23)20-15-7-2-1-3-8-15/h1-3,5,7-9,11,14H,4,6,10,12-13H2,(H,19,22)(H,20,23).
What are the key properties of 1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide?
1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide has a molecular weight of 343.45 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 3222834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).