1-N-(4-fluorophenyl)-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide

C18H20FN3O2S — CID 24792397

IUPAC1-N-(4-fluorophenyl)-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide
SMILESO=C(NCc1cccs1)C1CCCN(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C18H20FN3O2S/c19-14-5-7-15(8-6-14)21-18(24)22-9-1-3-13(12-22)17(23)20-11-16-4-2-10-25-16/h2,4-8,10,13H,1,3,9,11-12H2,(H,20,23)(H,21,24)
InChIKeyRYSHYJGMZZVOGU-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.45
Rot. Bonds4

About 1-N-(4-fluorophenyl)-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide

1-N-(4-fluorophenyl)-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide (PubChem CID 24792397) has the molecular formula C18H20FN3O2S and a molecular weight of 361.44 g/mol. Its IUPAC name is 1-N-(4-fluorophenyl)-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-fluorophenyl)-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide
PubChem CID24792397
Molecular FormulaC18H20FN3O2S
Molecular Weight361.44 g/mol
Exact Mass361.13
IUPAC Name1-N-(4-fluorophenyl)-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide
SMILESO=C(NCc1cccs1)C1CCCN(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C18H20FN3O2S/c19-14-5-7-15(8-6-14)21-18(24)22-9-1-3-13(12-22)17(23)20-11-16-4-2-10-25-16/h2,4-8,10,13H,1,3,9,11-12H2,(H,20,23)(H,21,24)
InChIKeyRYSHYJGMZZVOGU-UHFFFAOYSA-N
XLogP3.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4-fluorophenyl)-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(4-fluorophenyl)-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide (CID 24792397) is 1-N-(4-fluorophenyl)-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(4-fluorophenyl)-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(4-fluorophenyl)-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide is O=C(NCc1cccs1)C1CCCN(C(=O)Nc2ccc(F)cc2)C1.
What is the InChIKey of 1-N-(4-fluorophenyl)-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide?
The InChIKey is RYSHYJGMZZVOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2S/c19-14-5-7-15(8-6-14)21-18(24)22-9-1-3-13(12-22)17(23)20-11-16-4-2-10-25-16/h2,4-8,10,13H,1,3,9,11-12H2,(H,20,23)(H,21,24).
What are the key properties of 1-N-(4-fluorophenyl)-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide?
1-N-(4-fluorophenyl)-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide has a molecular weight of 361.44 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-fluorophenyl)-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 24792397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).