4-fluoro-4-(3-phenylpropyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-fluoro-4-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C39H40F8N6O2 — CID 134324338

IUPAC4-fluoro-4-(3-phenylpropyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-fluoro-4-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(F)(CCCc2ccccc2)CC1.O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(F)(c2ncccn2)CC1
InChIInChI=1S/C22H24F4N2O.C17H16F4N4O/c23-21(12-4-7-17-5-2-1-3-6-17)13-15-28(16-14-21)20(29)27-19-10-8-18(9-11-19)22(24,25)26;18-16(14-22-8-1-9-23-14)6-10-25(11-7-16)15(26)24-13-4-2-12(3-5-13)17(19,20)21/h1-3,5-6,8-11H,4,7,12-16H2,(H,27,29);1-5,8-9H,6-7,10-11H2,(H,24,26)
InChIKeyNXEQHKNEKRRIFO-UHFFFAOYSA-N
MW776.77 g/mol
LogP10.05
Rot. Bonds7

About 4-fluoro-4-(3-phenylpropyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-fluoro-4-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide

4-fluoro-4-(3-phenylpropyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-fluoro-4-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 134324338) has the molecular formula C39H40F8N6O2 and a molecular weight of 776.77 g/mol. Its IUPAC name is 4-fluoro-4-(3-phenylpropyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-fluoro-4-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-4-(3-phenylpropyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-fluoro-4-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID134324338
Molecular FormulaC39H40F8N6O2
Molecular Weight776.77 g/mol
Exact Mass776.31
IUPAC Name4-fluoro-4-(3-phenylpropyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-fluoro-4-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(F)(CCCc2ccccc2)CC1.O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(F)(c2ncccn2)CC1
InChIInChI=1S/C22H24F4N2O.C17H16F4N4O/c23-21(12-4-7-17-5-2-1-3-6-17)13-15-28(16-14-21)20(29)27-19-10-8-18(9-11-19)22(24,25)26;18-16(14-22-8-1-9-23-14)6-10-25(11-7-16)15(26)24-13-4-2-12(3-5-13)17(19,20)21/h1-3,5-6,8-11H,4,7,12-16H2,(H,27,29);1-5,8-9H,6-7,10-11H2,(H,24,26)
InChIKeyNXEQHKNEKRRIFO-UHFFFAOYSA-N
XLogP10.05
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.77
LogP ≤ 510.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(3-phenylpropyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-fluoro-4-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-fluoro-4-(3-phenylpropyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-fluoro-4-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 134324338) is 4-fluoro-4-(3-phenylpropyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-fluoro-4-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-fluoro-4-(3-phenylpropyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-fluoro-4-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-fluoro-4-(3-phenylpropyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-fluoro-4-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(F)(CCCc2ccccc2)CC1.O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(F)(c2ncccn2)CC1.
What is the InChIKey of 4-fluoro-4-(3-phenylpropyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-fluoro-4-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is NXEQHKNEKRRIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F4N2O.C17H16F4N4O/c23-21(12-4-7-17-5-2-1-3-6-17)13-15-28(16-14-21)20(29)27-19-10-8-18(9-11-19)22(24,25)26;18-16(14-22-8-1-9-23-14)6-10-25(11-7-16)15(26)24-13-4-2-12(3-5-13)17(19,20)21/h1-3,5-6,8-11H,4,7,12-16H2,(H,27,29);1-5,8-9H,6-7,10-11H2,(H,24,26).
What are the key properties of 4-fluoro-4-(3-phenylpropyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-fluoro-4-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
4-fluoro-4-(3-phenylpropyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-fluoro-4-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 776.77 g/mol, XLogP of 10.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(3-phenylpropyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-fluoro-4-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 134324338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).