N-[3,5-bis(trifluoromethyl)phenyl]-4-methoxypiperidine-1-carboxamide

C15H16F6N2O2 — CID 71895987

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-4-methoxypiperidine-1-carboxamide
SMILESCOC1CCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H16F6N2O2/c1-25-12-2-4-23(5-3-12)13(24)22-11-7-9(14(16,17)18)6-10(8-11)15(19,20)21/h6-8,12H,2-5H2,1H3,(H,22,24)
InChIKeyFJYHDWPNMDZEBD-UHFFFAOYSA-N
MW370.29 g/mol
LogP4.37
Rot. Bonds2

About N-[3,5-bis(trifluoromethyl)phenyl]-4-methoxypiperidine-1-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]-4-methoxypiperidine-1-carboxamide (PubChem CID 71895987) has the molecular formula C15H16F6N2O2 and a molecular weight of 370.29 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-4-methoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-4-methoxypiperidine-1-carboxamide
PubChem CID71895987
Molecular FormulaC15H16F6N2O2
Molecular Weight370.29 g/mol
Exact Mass370.11
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-4-methoxypiperidine-1-carboxamide
SMILESCOC1CCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H16F6N2O2/c1-25-12-2-4-23(5-3-12)13(24)22-11-7-9(14(16,17)18)6-10(8-11)15(19,20)21/h6-8,12H,2-5H2,1H3,(H,22,24)
InChIKeyFJYHDWPNMDZEBD-UHFFFAOYSA-N
XLogP4.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3,5-bis(trifluoromethyl)phenyl]-4-methoxypiperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-methoxypiperidine-1-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-methoxypiperidine-1-carboxamide (CID 71895987) is N-[3,5-bis(trifluoromethyl)phenyl]-4-methoxypiperidine-1-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-4-methoxypiperidine-1-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-4-methoxypiperidine-1-carboxamide is COC1CCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-4-methoxypiperidine-1-carboxamide?
The InChIKey is FJYHDWPNMDZEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F6N2O2/c1-25-12-2-4-23(5-3-12)13(24)22-11-7-9(14(16,17)18)6-10(8-11)15(19,20)21/h6-8,12H,2-5H2,1H3,(H,22,24).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-4-methoxypiperidine-1-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-4-methoxypiperidine-1-carboxamide has a molecular weight of 370.29 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-4-methoxypiperidine-1-carboxamide is sourced from PubChem (CID 71895987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).