4-fluoro-4-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide;4-fluoro-4-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C37H36F8N6O2 — CID 87429646

IUPAC4-fluoro-4-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide;4-fluoro-4-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)N1CCC(F)(c2ccccn2)CC1.O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(F)(c2ccccn2)CC1
InChIInChI=1S/C19H19F4N3O.C18H17F4N3O/c20-18(16-3-1-2-10-24-16)8-11-26(12-9-18)17(27)25-13-14-4-6-15(7-5-14)19(21,22)23;19-17(15-3-1-2-10-23-15)8-11-25(12-9-17)16(26)24-14-6-4-13(5-7-14)18(20,21)22/h1-7,10H,8-9,11-13H2,(H,25,27);1-7,10H,8-9,11-12H2,(H,24,26)
InChIKeyGMAJLJJYUFLQCL-UHFFFAOYSA-N
MW748.72 g/mol
LogP8.86
Rot. Bonds5

About 4-fluoro-4-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide;4-fluoro-4-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide

4-fluoro-4-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide;4-fluoro-4-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 87429646) has the molecular formula C37H36F8N6O2 and a molecular weight of 748.72 g/mol. Its IUPAC name is 4-fluoro-4-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide;4-fluoro-4-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-4-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide;4-fluoro-4-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID87429646
Molecular FormulaC37H36F8N6O2
Molecular Weight748.72 g/mol
Exact Mass748.28
IUPAC Name4-fluoro-4-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide;4-fluoro-4-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)N1CCC(F)(c2ccccn2)CC1.O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(F)(c2ccccn2)CC1
InChIInChI=1S/C19H19F4N3O.C18H17F4N3O/c20-18(16-3-1-2-10-24-16)8-11-26(12-9-18)17(27)25-13-14-4-6-15(7-5-14)19(21,22)23;19-17(15-3-1-2-10-23-15)8-11-25(12-9-17)16(26)24-14-6-4-13(5-7-14)18(20,21)22/h1-7,10H,8-9,11-13H2,(H,25,27);1-7,10H,8-9,11-12H2,(H,24,26)
InChIKeyGMAJLJJYUFLQCL-UHFFFAOYSA-N
XLogP8.86
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.72
LogP ≤ 58.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide;4-fluoro-4-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-fluoro-4-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide;4-fluoro-4-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 87429646) is 4-fluoro-4-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide;4-fluoro-4-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-fluoro-4-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide;4-fluoro-4-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-fluoro-4-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide;4-fluoro-4-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is O=C(NCc1ccc(C(F)(F)F)cc1)N1CCC(F)(c2ccccn2)CC1.O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(F)(c2ccccn2)CC1.
What is the InChIKey of 4-fluoro-4-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide;4-fluoro-4-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is GMAJLJJYUFLQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4N3O.C18H17F4N3O/c20-18(16-3-1-2-10-24-16)8-11-26(12-9-18)17(27)25-13-14-4-6-15(7-5-14)19(21,22)23;19-17(15-3-1-2-10-23-15)8-11-25(12-9-17)16(26)24-14-6-4-13(5-7-14)18(20,21)22/h1-7,10H,8-9,11-13H2,(H,25,27);1-7,10H,8-9,11-12H2,(H,24,26).
What are the key properties of 4-fluoro-4-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide;4-fluoro-4-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
4-fluoro-4-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide;4-fluoro-4-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 748.72 g/mol, XLogP of 8.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide;4-fluoro-4-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 87429646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).