N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide

C19H20F4N4O3 — CID 71782948

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)N1CCC(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H20F4N4O3/c1-26-10-13(17(25-26)30-2)18(29)27-7-5-11(6-8-27)16(28)24-12-3-4-15(20)14(9-12)19(21,22)23/h3-4,9-11H,5-8H2,1-2H3,(H,24,28)
InChIKeyFPCHWRPKCGJHSD-UHFFFAOYSA-N
MW428.39 g/mol
LogP3.08
Rot. Bonds4

About N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide

N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide (PubChem CID 71782948) has the molecular formula C19H20F4N4O3 and a molecular weight of 428.39 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
PubChem CID71782948
Molecular FormulaC19H20F4N4O3
Molecular Weight428.39 g/mol
Exact Mass428.15
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)N1CCC(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H20F4N4O3/c1-26-10-13(17(25-26)30-2)18(29)27-7-5-11(6-8-27)16(28)24-12-3-4-15(20)14(9-12)19(21,22)23/h3-4,9-11H,5-8H2,1-2H3,(H,24,28)
InChIKeyFPCHWRPKCGJHSD-UHFFFAOYSA-N
XLogP3.08
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-pyridinyl)-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 166251824
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 47081962
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 30148120
1-(2-fluorobenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 17019052
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 71810832
1-(3,5-dimethoxybenzoyl)-N-(3-fluoro-4-methoxyphenyl)piperidine-4-carboxamide
CID 55797447
1-(5-amino-2-methylbenzoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide
CID 120633299
1-(5-chloro-2-methoxybenzoyl)-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 55788299
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363210
1-(2,4-difluorobenzoyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 78803404
N-(1,3-benzodioxol-5-yl)-1-(2-hydroxy-4-methoxybenzoyl)piperidine-4-carboxamide
CID 41410485
(3-methoxy-1-methylpyrazol-4-yl)-[4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone
CID 126851965

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide (CID 71782948) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide is COc1nn(C)cc1C(=O)N1CCC(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is FPCHWRPKCGJHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N4O3/c1-26-10-13(17(25-26)30-2)18(29)27-7-5-11(6-8-27)16(28)24-12-3-4-15(20)14(9-12)19(21,22)23/h3-4,9-11H,5-8H2,1-2H3,(H,24,28).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 428.39 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 71782948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).