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

C20H22F5N3O2 — CID 159531960

IUPAC4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;methane
SMILESC.Cc1cc(NC(=O)N2CCC(F)(c3ncccc3F)CC2)ccc1OC(F)(F)F
InChIInChI=1S/C19H18F5N3O2.CH4/c1-12-11-13(4-5-15(12)29-19(22,23)24)26-17(28)27-9-6-18(21,7-10-27)16-14(20)3-2-8-25-16;/h2-5,8,11H,6-7,9-10H2,1H3,(H,26,28);1H4
InChIKeyMDCNGDLIYOAHLD-UHFFFAOYSA-N
MW431.41 g/mol
LogP5.56
Rot. Bonds3

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

4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;methane (PubChem CID 159531960) has the molecular formula C20H22F5N3O2 and a molecular weight of 431.41 g/mol. Its IUPAC name is 4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;methane.

Molecular Properties

Compound Name4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;methane
PubChem CID159531960
Molecular FormulaC20H22F5N3O2
Molecular Weight431.41 g/mol
Exact Mass431.16
IUPAC Name4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;methane
SMILESC.Cc1cc(NC(=O)N2CCC(F)(c3ncccc3F)CC2)ccc1OC(F)(F)F
InChIInChI=1S/C19H18F5N3O2.CH4/c1-12-11-13(4-5-15(12)29-19(22,23)24)26-17(28)27-9-6-18(21,7-10-27)16-14(20)3-2-8-25-16;/h2-5,8,11H,6-7,9-10H2,1H3,(H,26,28);1H4
InChIKeyMDCNGDLIYOAHLD-UHFFFAOYSA-N
XLogP5.56
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.41
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 11349537
N-(4-cyanophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide
CID 11461873
4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethylsulfonyl)phenyl]piperidine-1-carboxamide
CID 71165123
4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-(1,2-dihydroxyethyl)-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 158282339
3-hydroxy-3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide
CID 119043741
3-methyl-1-[(3-methyl-4-pyridin-3-yloxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077887
4-fluoro-4-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide;1-isocyanato-4-propan-2-ylbenzene
CID 87885440
4-(3-chloro-2-pyridinyl)-4-fluoro-N-(5-methyl-2-pyridinyl)piperidine-1-carboxamide;methane
CID 161177971
N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]azetidine-1-carboxamide
CID 90039488
4-(2,2-difluoroethyl)-N-(4-ethoxy-3-methylphenyl)piperazine-1-carboxamide
CID 49118117
1-[[3-cyano-4-(trifluoromethoxy)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122092750
4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 10172493

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;methane?
The IUPAC name of 4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;methane (CID 159531960) is 4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;methane.
What is the SMILES notation for 4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;methane?
The canonical SMILES for 4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;methane is C.Cc1cc(NC(=O)N2CCC(F)(c3ncccc3F)CC2)ccc1OC(F)(F)F.
What is the InChIKey of 4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;methane?
The InChIKey is MDCNGDLIYOAHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F5N3O2.CH4/c1-12-11-13(4-5-15(12)29-19(22,23)24)26-17(28)27-9-6-18(21,7-10-27)16-14(20)3-2-8-25-16;/h2-5,8,11H,6-7,9-10H2,1H3,(H,26,28);1H4.
What are the key properties of 4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;methane?
4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;methane has a molecular weight of 431.41 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;methane is sourced from PubChem (CID 159531960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).