1-(4-amino-2,6-difluorophenyl)piperidine-2-carboxamide

C12H15F2N3O — CID 54985308

IUPAC1-(4-amino-2,6-difluorophenyl)piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1c1c(F)cc(N)cc1F
InChIInChI=1S/C12H15F2N3O/c13-8-5-7(15)6-9(14)11(8)17-4-2-1-3-10(17)12(16)18/h5-6,10H,1-4,15H2,(H2,16,18)
InChIKeyBDKVISDKHSSKSK-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.39
Rot. Bonds2

About 1-(4-amino-2,6-difluorophenyl)piperidine-2-carboxamide

1-(4-amino-2,6-difluorophenyl)piperidine-2-carboxamide (PubChem CID 54985308) has the molecular formula C12H15F2N3O and a molecular weight of 255.27 g/mol. Its IUPAC name is 1-(4-amino-2,6-difluorophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-amino-2,6-difluorophenyl)piperidine-2-carboxamide
PubChem CID54985308
Molecular FormulaC12H15F2N3O
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name1-(4-amino-2,6-difluorophenyl)piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1c1c(F)cc(N)cc1F
InChIInChI=1S/C12H15F2N3O/c13-8-5-7(15)6-9(14)11(8)17-4-2-1-3-10(17)12(16)18/h5-6,10H,1-4,15H2,(H2,16,18)
InChIKeyBDKVISDKHSSKSK-UHFFFAOYSA-N
XLogP1.39
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,6-difluorophenyl)piperidine-2-carboxamide?
The IUPAC name of 1-(4-amino-2,6-difluorophenyl)piperidine-2-carboxamide (CID 54985308) is 1-(4-amino-2,6-difluorophenyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(4-amino-2,6-difluorophenyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(4-amino-2,6-difluorophenyl)piperidine-2-carboxamide is NC(=O)C1CCCCN1c1c(F)cc(N)cc1F.
What is the InChIKey of 1-(4-amino-2,6-difluorophenyl)piperidine-2-carboxamide?
The InChIKey is BDKVISDKHSSKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O/c13-8-5-7(15)6-9(14)11(8)17-4-2-1-3-10(17)12(16)18/h5-6,10H,1-4,15H2,(H2,16,18).
What are the key properties of 1-(4-amino-2,6-difluorophenyl)piperidine-2-carboxamide?
1-(4-amino-2,6-difluorophenyl)piperidine-2-carboxamide has a molecular weight of 255.27 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2,6-difluorophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 54985308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).