N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

C19H17F6N3O — CID 11281498

IUPACN-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C19H17F6N3O/c20-18(21,22)13-3-5-14(6-4-13)27-17(29)12-7-10-28(11-8-12)16-15(19(23,24)25)2-1-9-26-16/h1-6,9,12H,7-8,10-11H2,(H,27,29)
InChIKeyADNKXTWILKFVPK-UHFFFAOYSA-N
MW417.35 g/mol
LogP4.97
Rot. Bonds3

About N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 11281498) has the molecular formula C19H17F6N3O and a molecular weight of 417.35 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID11281498
Molecular FormulaC19H17F6N3O
Molecular Weight417.35 g/mol
Exact Mass417.13
IUPAC NameN-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C19H17F6N3O/c20-18(21,22)13-3-5-14(6-4-13)27-17(29)12-7-10-28(11-8-12)16-15(19(23,24)25)2-1-9-26-16/h1-6,9,12H,7-8,10-11H2,(H,27,29)
InChIKeyADNKXTWILKFVPK-UHFFFAOYSA-N
XLogP4.97
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.35
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (CID 11281498) is N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(c2ncccc2C(F)(F)F)CC1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is ADNKXTWILKFVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F6N3O/c20-18(21,22)13-3-5-14(6-4-13)27-17(29)12-7-10-28(11-8-12)16-15(19(23,24)25)2-1-9-26-16/h1-6,9,12H,7-8,10-11H2,(H,27,29).
What are the key properties of N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 417.35 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 11281498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).