1-acetyl-N-[4-bromo-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

C15H16BrF3N2O2 — CID 45479115

IUPAC1-acetyl-N-[4-bromo-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1
InChIInChI=1S/C15H16BrF3N2O2/c1-9(22)21-6-2-3-10(8-21)14(23)20-11-4-5-13(16)12(7-11)15(17,18)19/h4-5,7,10H,2-3,6,8H2,1H3,(H,20,23)
InChIKeyYBSSVKLJQQCYLQ-UHFFFAOYSA-N
MW393.20 g/mol
LogP3.66
Rot. Bonds2

About 1-acetyl-N-[4-bromo-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

1-acetyl-N-[4-bromo-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 45479115) has the molecular formula C15H16BrF3N2O2 and a molecular weight of 393.20 g/mol. Its IUPAC name is 1-acetyl-N-[4-bromo-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[4-bromo-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
PubChem CID45479115
Molecular FormulaC15H16BrF3N2O2
Molecular Weight393.20 g/mol
Exact Mass392.03
IUPAC Name1-acetyl-N-[4-bromo-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1
InChIInChI=1S/C15H16BrF3N2O2/c1-9(22)21-6-2-3-10(8-21)14(23)20-11-4-5-13(16)12(7-11)15(17,18)19/h4-5,7,10H,2-3,6,8H2,1H3,(H,20,23)
InChIKeyYBSSVKLJQQCYLQ-UHFFFAOYSA-N
XLogP3.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.20
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[4-bromo-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[4-bromo-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 45479115) is 1-acetyl-N-[4-bromo-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[4-bromo-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[4-bromo-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is CC(=O)N1CCCC(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1.
What is the InChIKey of 1-acetyl-N-[4-bromo-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is YBSSVKLJQQCYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrF3N2O2/c1-9(22)21-6-2-3-10(8-21)14(23)20-11-4-5-13(16)12(7-11)15(17,18)19/h4-5,7,10H,2-3,6,8H2,1H3,(H,20,23).
What are the key properties of 1-acetyl-N-[4-bromo-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
1-acetyl-N-[4-bromo-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 393.20 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[4-bromo-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 45479115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).