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

C19H19F4N3O — CID 11349537

IUPAC4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCc1cccnc1C1(F)CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H19F4N3O/c1-13-3-2-10-24-16(13)18(20)8-11-26(12-9-18)17(27)25-15-6-4-14(5-7-15)19(21,22)23/h2-7,10H,8-9,11-12H2,1H3,(H,25,27)
InChIKeyYUPDDSXQVRZKGH-UHFFFAOYSA-N
MW381.37 g/mol
LogP4.90
Rot. Bonds2

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

4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 11349537) has the molecular formula C19H19F4N3O and a molecular weight of 381.37 g/mol. Its IUPAC name is 4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID11349537
Molecular FormulaC19H19F4N3O
Molecular Weight381.37 g/mol
Exact Mass381.15
IUPAC Name4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCc1cccnc1C1(F)CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H19F4N3O/c1-13-3-2-10-24-16(13)18(20)8-11-26(12-9-18)17(27)25-15-6-4-14(5-7-15)19(21,22)23/h2-7,10H,8-9,11-12H2,1H3,(H,25,27)
InChIKeyYUPDDSXQVRZKGH-UHFFFAOYSA-N
XLogP4.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.37
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-cyanophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide
CID 11461873
4-fluoro-4-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide;1-isocyanato-4-propan-2-ylbenzene
CID 87885440
4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]cyclohexene-1-carboxamide
CID 42600843
4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethylsulfonyl)phenyl]piperidine-1-carboxamide
CID 71165123
4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;methane
CID 159531960
4-fluoro-4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 121349382
4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 10172493
N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 11430023
4-fluoro-N'-[1-(3-hydroxy-5-methylphenyl)piperidin-4-yl]-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboximidamide
CID 57336140
4-fluoro-N'-[1-(3-methoxyphenyl)piperidin-4-yl]-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboximidamide
CID 57336000
3-oxo-1-phenyl-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24953805
9-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 71566458

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 11349537) is 4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is Cc1cccnc1C1(F)CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is YUPDDSXQVRZKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4N3O/c1-13-3-2-10-24-16(13)18(20)8-11-26(12-9-18)17(27)25-15-6-4-14(5-7-15)19(21,22)23/h2-7,10H,8-9,11-12H2,1H3,(H,25,27).
What are the key properties of 4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 381.37 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 11349537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).