1-[3-bromo-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidine-4-carboxamide

C18H17BrF3N3O — CID 45275458

IUPAC1-[3-bromo-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2c(Br)cncc2-c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H17BrF3N3O/c19-15-10-24-9-14(11-1-3-13(4-2-11)18(20,21)22)16(15)25-7-5-12(6-8-25)17(23)26/h1-4,9-10,12H,5-8H2,(H2,23,26)
InChIKeyCRHIUMQOMSTXLM-UHFFFAOYSA-N
MW428.25 g/mol
LogP4.23
Rot. Bonds3

About 1-[3-bromo-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidine-4-carboxamide

1-[3-bromo-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidine-4-carboxamide (PubChem CID 45275458) has the molecular formula C18H17BrF3N3O and a molecular weight of 428.25 g/mol. Its IUPAC name is 1-[3-bromo-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-bromo-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidine-4-carboxamide
PubChem CID45275458
Molecular FormulaC18H17BrF3N3O
Molecular Weight428.25 g/mol
Exact Mass427.05
IUPAC Name1-[3-bromo-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2c(Br)cncc2-c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H17BrF3N3O/c19-15-10-24-9-14(11-1-3-13(4-2-11)18(20,21)22)16(15)25-7-5-12(6-8-25)17(23)26/h1-4,9-10,12H,5-8H2,(H2,23,26)
InChIKeyCRHIUMQOMSTXLM-UHFFFAOYSA-N
XLogP4.23
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.25
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-bromo-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidine-4-carboxamide (CID 45275458) is 1-[3-bromo-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-bromo-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-bromo-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidine-4-carboxamide is NC(=O)C1CCN(c2c(Br)cncc2-c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[3-bromo-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidine-4-carboxamide?
The InChIKey is CRHIUMQOMSTXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrF3N3O/c19-15-10-24-9-14(11-1-3-13(4-2-11)18(20,21)22)16(15)25-7-5-12(6-8-25)17(23)26/h1-4,9-10,12H,5-8H2,(H2,23,26).
What are the key properties of 1-[3-bromo-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidine-4-carboxamide?
1-[3-bromo-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidine-4-carboxamide has a molecular weight of 428.25 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 45275458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).