4-(3,5-difluoroanilino)piperidine-1-carboxamide

C12H15F2N3O — CID 43765044

IUPAC4-(3,5-difluoroanilino)piperidine-1-carboxamide
SMILESNC(=O)N1CCC(Nc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C12H15F2N3O/c13-8-5-9(14)7-11(6-8)16-10-1-3-17(4-2-10)12(15)18/h5-7,10,16H,1-4H2,(H2,15,18)
InChIKeyGTNXQMGJBHPYNO-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.92
Rot. Bonds2

About 4-(3,5-difluoroanilino)piperidine-1-carboxamide

4-(3,5-difluoroanilino)piperidine-1-carboxamide (PubChem CID 43765044) has the molecular formula C12H15F2N3O and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-(3,5-difluoroanilino)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3,5-difluoroanilino)piperidine-1-carboxamide
PubChem CID43765044
Molecular FormulaC12H15F2N3O
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name4-(3,5-difluoroanilino)piperidine-1-carboxamide
SMILESNC(=O)N1CCC(Nc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C12H15F2N3O/c13-8-5-9(14)7-11(6-8)16-10-1-3-17(4-2-10)12(15)18/h5-7,10,16H,1-4H2,(H2,15,18)
InChIKeyGTNXQMGJBHPYNO-UHFFFAOYSA-N
XLogP1.92
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluoroanilino)piperidine-1-carboxamide?
The IUPAC name of 4-(3,5-difluoroanilino)piperidine-1-carboxamide (CID 43765044) is 4-(3,5-difluoroanilino)piperidine-1-carboxamide.
What is the SMILES notation for 4-(3,5-difluoroanilino)piperidine-1-carboxamide?
The canonical SMILES for 4-(3,5-difluoroanilino)piperidine-1-carboxamide is NC(=O)N1CCC(Nc2cc(F)cc(F)c2)CC1.
What is the InChIKey of 4-(3,5-difluoroanilino)piperidine-1-carboxamide?
The InChIKey is GTNXQMGJBHPYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O/c13-8-5-9(14)7-11(6-8)16-10-1-3-17(4-2-10)12(15)18/h5-7,10,16H,1-4H2,(H2,15,18).
What are the key properties of 4-(3,5-difluoroanilino)piperidine-1-carboxamide?
4-(3,5-difluoroanilino)piperidine-1-carboxamide has a molecular weight of 255.27 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluoroanilino)piperidine-1-carboxamide is sourced from PubChem (CID 43765044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).