3-N-cyclopropyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide

C16H20FN3O2 — CID 654837

IUPAC3-N-cyclopropyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
SMILESO=C(NC1CC1)C1CCCN(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C16H20FN3O2/c17-12-3-5-14(6-4-12)19-16(22)20-9-1-2-11(10-20)15(21)18-13-7-8-13/h3-6,11,13H,1-2,7-10H2,(H,18,21)(H,19,22)
InChIKeyVPIPSFQXICUSLW-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.35
Rot. Bonds3

About 3-N-cyclopropyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide

3-N-cyclopropyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide (PubChem CID 654837) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 3-N-cyclopropyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-cyclopropyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
PubChem CID654837
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name3-N-cyclopropyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
SMILESO=C(NC1CC1)C1CCCN(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C16H20FN3O2/c17-12-3-5-14(6-4-12)19-16(22)20-9-1-2-11(10-20)15(21)18-13-7-8-13/h3-6,11,13H,1-2,7-10H2,(H,18,21)(H,19,22)
InChIKeyVPIPSFQXICUSLW-UHFFFAOYSA-N
XLogP2.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-cyclopropyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide (CID 654837) is 3-N-cyclopropyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-cyclopropyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-cyclopropyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide is O=C(NC1CC1)C1CCCN(C(=O)Nc2ccc(F)cc2)C1.
What is the InChIKey of 3-N-cyclopropyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide?
The InChIKey is VPIPSFQXICUSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c17-12-3-5-14(6-4-12)19-16(22)20-9-1-2-11(10-20)15(21)18-13-7-8-13/h3-6,11,13H,1-2,7-10H2,(H,18,21)(H,19,22).
What are the key properties of 3-N-cyclopropyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide?
3-N-cyclopropyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide has a molecular weight of 305.35 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopropyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 654837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).