1-(2-amino-4-chloro-5-fluorophenyl)-6-methylpiperidine-3-carboxamide

C13H17ClFN3O — CID 66077237

IUPAC1-(2-amino-4-chloro-5-fluorophenyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1cc(F)c(Cl)cc1N
InChIInChI=1S/C13H17ClFN3O/c1-7-2-3-8(13(17)19)6-18(7)12-5-10(15)9(14)4-11(12)16/h4-5,7-8H,2-3,6,16H2,1H3,(H2,17,19)
InChIKeyUICHMXXYJBPUPP-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.15
Rot. Bonds2

About 1-(2-amino-4-chloro-5-fluorophenyl)-6-methylpiperidine-3-carboxamide

1-(2-amino-4-chloro-5-fluorophenyl)-6-methylpiperidine-3-carboxamide (PubChem CID 66077237) has the molecular formula C13H17ClFN3O and a molecular weight of 285.75 g/mol. Its IUPAC name is 1-(2-amino-4-chloro-5-fluorophenyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-4-chloro-5-fluorophenyl)-6-methylpiperidine-3-carboxamide
PubChem CID66077237
Molecular FormulaC13H17ClFN3O
Molecular Weight285.75 g/mol
Exact Mass285.10
IUPAC Name1-(2-amino-4-chloro-5-fluorophenyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1cc(F)c(Cl)cc1N
InChIInChI=1S/C13H17ClFN3O/c1-7-2-3-8(13(17)19)6-18(7)12-5-10(15)9(14)4-11(12)16/h4-5,7-8H,2-3,6,16H2,1H3,(H2,17,19)
InChIKeyUICHMXXYJBPUPP-UHFFFAOYSA-N
XLogP2.15
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.15
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-(2-amino-4-chloro-5-fluorophenyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-4-chloro-5-fluorophenyl)-6-methylpiperidine-3-carboxamide (CID 66077237) is 1-(2-amino-4-chloro-5-fluorophenyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-4-chloro-5-fluorophenyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-4-chloro-5-fluorophenyl)-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1c1cc(F)c(Cl)cc1N.
What is the InChIKey of 1-(2-amino-4-chloro-5-fluorophenyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is UICHMXXYJBPUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN3O/c1-7-2-3-8(13(17)19)6-18(7)12-5-10(15)9(14)4-11(12)16/h4-5,7-8H,2-3,6,16H2,1H3,(H2,17,19).
What are the key properties of 1-(2-amino-4-chloro-5-fluorophenyl)-6-methylpiperidine-3-carboxamide?
1-(2-amino-4-chloro-5-fluorophenyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 285.75 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-chloro-5-fluorophenyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 66077237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).