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

C36H32ClF9N6O2 — CID 87839287

IUPAC4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(F)(c2ncccc2Cl)CC1.O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(F)(c2ncccc2F)CC1
InChIInChI=1S/C18H16ClF4N3O.C18H16F5N3O/c2*19-14-2-1-9-24-15(14)17(20)7-10-26(11-8-17)16(27)25-13-5-3-12(4-6-13)18(21,22)23/h2*1-6,9H,7-8,10-11H2,(H,25,27)
InChIKeyDVRVZCVTZJBQQV-UHFFFAOYSA-N
MW787.13 g/mol
LogP9.98
Rot. Bonds4

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

4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 87839287) has the molecular formula C36H32ClF9N6O2 and a molecular weight of 787.13 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID87839287
Molecular FormulaC36H32ClF9N6O2
Molecular Weight787.13 g/mol
Exact Mass786.21
IUPAC Name4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(F)(c2ncccc2Cl)CC1.O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(F)(c2ncccc2F)CC1
InChIInChI=1S/C18H16ClF4N3O.C18H16F5N3O/c2*19-14-2-1-9-24-15(14)17(20)7-10-26(11-8-17)16(27)25-13-5-3-12(4-6-13)18(21,22)23/h2*1-6,9H,7-8,10-11H2,(H,25,27)
InChIKeyDVRVZCVTZJBQQV-UHFFFAOYSA-N
XLogP9.98
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.13
LogP ≤ 59.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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;4-fluoro-4-(3-fluoro-2-pyridinyl)-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;4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 87839287) is 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-fluoro-4-(3-fluoro-2-pyridinyl)-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;4-fluoro-4-(3-fluoro-2-pyridinyl)-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;4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(F)(c2ncccc2Cl)CC1.O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(F)(c2ncccc2F)CC1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is DVRVZCVTZJBQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF4N3O.C18H16F5N3O/c2*19-14-2-1-9-24-15(14)17(20)7-10-26(11-8-17)16(27)25-13-5-3-12(4-6-13)18(21,22)23/h2*1-6,9H,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-fluoro-4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 787.13 g/mol, XLogP of 9.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 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;4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 87839287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).