N-[(3-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C15H18BrF3N2O — CID 51119791

IUPACN-[(3-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccc(Br)c1)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H18BrF3N2O/c16-13-3-1-2-11(8-13)9-20-14(22)12-4-6-21(7-5-12)10-15(17,18)19/h1-3,8,12H,4-7,9-10H2,(H,20,22)
InChIKeyIENFBMPJLJDGOP-UHFFFAOYSA-N
MW379.22 g/mol
LogP3.34
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

N-[(3-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 51119791) has the molecular formula C15H18BrF3N2O and a molecular weight of 379.22 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID51119791
Molecular FormulaC15H18BrF3N2O
Molecular Weight379.22 g/mol
Exact Mass378.06
IUPAC NameN-[(3-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccc(Br)c1)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H18BrF3N2O/c16-13-3-1-2-11(8-13)9-20-14(22)12-4-6-21(7-5-12)10-15(17,18)19/h1-3,8,12H,4-7,9-10H2,(H,20,22)
InChIKeyIENFBMPJLJDGOP-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.22
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 51119791) is N-[(3-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is O=C(NCc1cccc(Br)c1)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is IENFBMPJLJDGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrF3N2O/c16-13-3-1-2-11(8-13)9-20-14(22)12-4-6-21(7-5-12)10-15(17,18)19/h1-3,8,12H,4-7,9-10H2,(H,20,22).
What are the key properties of N-[(3-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
N-[(3-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 379.22 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 51119791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).