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

C18H16ClF4N3O — CID 11269624

IUPAC4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(F)(c2ncccc2Cl)CC1
InChIInChI=1S/C18H16ClF4N3O/c19-14-2-1-9-24-15(14)17(20)7-10-26(11-8-17)16(27)25-13-5-3-12(4-6-13)18(21,22)23/h1-6,9H,7-8,10-11H2,(H,25,27)
InChIKeyUSAYUWJTCYIKSX-UHFFFAOYSA-N
MW401.79 g/mol
LogP5.25
Rot. Bonds2

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

4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 11269624) has the molecular formula C18H16ClF4N3O and a molecular weight of 401.79 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID11269624
Molecular FormulaC18H16ClF4N3O
Molecular Weight401.79 g/mol
Exact Mass401.09
IUPAC Name4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(F)(c2ncccc2Cl)CC1
InChIInChI=1S/C18H16ClF4N3O/c19-14-2-1-9-24-15(14)17(20)7-10-26(11-8-17)16(27)25-13-5-3-12(4-6-13)18(21,22)23/h1-6,9H,7-8,10-11H2,(H,25,27)
InChIKeyUSAYUWJTCYIKSX-UHFFFAOYSA-N
XLogP5.25
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.79
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 11269624) is 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(F)(c2ncccc2Cl)CC1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is USAYUWJTCYIKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF4N3O/c19-14-2-1-9-24-15(14)17(20)7-10-26(11-8-17)16(27)25-13-5-3-12(4-6-13)18(21,22)23/h1-6,9H,7-8,10-11H2,(H,25,27).
What are the key properties of 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 401.79 g/mol, XLogP of 5.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 11269624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).