1-(5-bromo-2-cyano-3-fluorophenyl)-2-methylpiperidine-4-carboxamide

C14H15BrFN3O — CID 178084529

IUPAC1-(5-bromo-2-cyano-3-fluorophenyl)-2-methylpiperidine-4-carboxamide
SMILESCC1CC(C(N)=O)CCN1c1cc(Br)cc(F)c1C#N
InChIInChI=1S/C14H15BrFN3O/c1-8-4-9(14(18)20)2-3-19(8)13-6-10(15)5-12(16)11(13)7-17/h5-6,8-9H,2-4H2,1H3,(H2,18,20)
InChIKeyNZJMVHJPKVHPQE-UHFFFAOYSA-N
MW340.20 g/mol
LogP2.55
Rot. Bonds2

About 1-(5-bromo-2-cyano-3-fluorophenyl)-2-methylpiperidine-4-carboxamide

1-(5-bromo-2-cyano-3-fluorophenyl)-2-methylpiperidine-4-carboxamide (PubChem CID 178084529) has the molecular formula C14H15BrFN3O and a molecular weight of 340.20 g/mol. Its IUPAC name is 1-(5-bromo-2-cyano-3-fluorophenyl)-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-2-cyano-3-fluorophenyl)-2-methylpiperidine-4-carboxamide
PubChem CID178084529
Molecular FormulaC14H15BrFN3O
Molecular Weight340.20 g/mol
Exact Mass339.04
IUPAC Name1-(5-bromo-2-cyano-3-fluorophenyl)-2-methylpiperidine-4-carboxamide
SMILESCC1CC(C(N)=O)CCN1c1cc(Br)cc(F)c1C#N
InChIInChI=1S/C14H15BrFN3O/c1-8-4-9(14(18)20)2-3-19(8)13-6-10(15)5-12(16)11(13)7-17/h5-6,8-9H,2-4H2,1H3,(H2,18,20)
InChIKeyNZJMVHJPKVHPQE-UHFFFAOYSA-N
XLogP2.55
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-cyano-3-fluorophenyl)-2-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-bromo-2-cyano-3-fluorophenyl)-2-methylpiperidine-4-carboxamide (CID 178084529) is 1-(5-bromo-2-cyano-3-fluorophenyl)-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-bromo-2-cyano-3-fluorophenyl)-2-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-bromo-2-cyano-3-fluorophenyl)-2-methylpiperidine-4-carboxamide is CC1CC(C(N)=O)CCN1c1cc(Br)cc(F)c1C#N.
What is the InChIKey of 1-(5-bromo-2-cyano-3-fluorophenyl)-2-methylpiperidine-4-carboxamide?
The InChIKey is NZJMVHJPKVHPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3O/c1-8-4-9(14(18)20)2-3-19(8)13-6-10(15)5-12(16)11(13)7-17/h5-6,8-9H,2-4H2,1H3,(H2,18,20).
What are the key properties of 1-(5-bromo-2-cyano-3-fluorophenyl)-2-methylpiperidine-4-carboxamide?
1-(5-bromo-2-cyano-3-fluorophenyl)-2-methylpiperidine-4-carboxamide has a molecular weight of 340.20 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-cyano-3-fluorophenyl)-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 178084529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).