N-(4-cyanophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide

C38H38F5N7O3 — CID 67517590

IUPACN-(4-cyanophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESCc1cccnc1C1(F)CCN(C(=O)Nc2ccc(C#N)cc2)CC1.Cc1cccnc1C1(F)CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C19H19F4N3O2.C19H19FN4O/c1-13-3-2-10-24-16(13)18(20)8-11-26(12-9-18)17(27)25-14-4-6-15(7-5-14)28-19(21,22)23;1-14-3-2-10-22-17(14)19(20)8-11-24(12-9-19)18(25)23-16-6-4-15(13-21)5-7-16/h2-7,10H,8-9,11-12H2,1H3,(H,25,27);2-7,10H,8-9,11-12H2,1H3,(H,23,25)
InChIKeyWBTUQQQLVJJHFA-UHFFFAOYSA-N
MW735.76 g/mol
LogP8.54
Rot. Bonds5

About N-(4-cyanophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide

N-(4-cyanophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (PubChem CID 67517590) has the molecular formula C38H38F5N7O3 and a molecular weight of 735.76 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
PubChem CID67517590
Molecular FormulaC38H38F5N7O3
Molecular Weight735.76 g/mol
Exact Mass735.30
IUPAC NameN-(4-cyanophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESCc1cccnc1C1(F)CCN(C(=O)Nc2ccc(C#N)cc2)CC1.Cc1cccnc1C1(F)CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C19H19F4N3O2.C19H19FN4O/c1-13-3-2-10-24-16(13)18(20)8-11-26(12-9-18)17(27)25-14-4-6-15(7-5-14)28-19(21,22)23;1-14-3-2-10-22-17(14)19(20)8-11-24(12-9-19)18(25)23-16-6-4-15(13-21)5-7-16/h2-7,10H,8-9,11-12H2,1H3,(H,25,27);2-7,10H,8-9,11-12H2,1H3,(H,23,25)
InChIKeyWBTUQQQLVJJHFA-UHFFFAOYSA-N
XLogP8.54
TPSA123.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.76
LogP ≤ 58.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (CID 67517590) is N-(4-cyanophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is Cc1cccnc1C1(F)CCN(C(=O)Nc2ccc(C#N)cc2)CC1.Cc1cccnc1C1(F)CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of N-(4-cyanophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The InChIKey is WBTUQQQLVJJHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4N3O2.C19H19FN4O/c1-13-3-2-10-24-16(13)18(20)8-11-26(12-9-18)17(27)25-14-4-6-15(7-5-14)28-19(21,22)23;1-14-3-2-10-22-17(14)19(20)8-11-24(12-9-19)18(25)23-16-6-4-15(13-21)5-7-16/h2-7,10H,8-9,11-12H2,1H3,(H,25,27);2-7,10H,8-9,11-12H2,1H3,(H,23,25).
What are the key properties of N-(4-cyanophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
N-(4-cyanophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide has a molecular weight of 735.76 g/mol, XLogP of 8.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 67517590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).