N-(4-cyanophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide

C19H19FN4O — CID 11461873

IUPACN-(4-cyanophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide
SMILESCc1cccnc1C1(F)CCN(C(=O)Nc2ccc(C#N)cc2)CC1
InChIInChI=1S/C19H19FN4O/c1-14-3-2-10-22-17(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,23,25)
InChIKeyXNZKBLOESGAVST-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.75
Rot. Bonds2

About N-(4-cyanophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide

N-(4-cyanophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide (PubChem CID 11461873) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide
PubChem CID11461873
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC NameN-(4-cyanophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide
SMILESCc1cccnc1C1(F)CCN(C(=O)Nc2ccc(C#N)cc2)CC1
InChIInChI=1S/C19H19FN4O/c1-14-3-2-10-22-17(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,23,25)
InChIKeyXNZKBLOESGAVST-UHFFFAOYSA-N
XLogP3.75
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 11349537
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-[4-(trifluoromethylsulfonyl)phenyl]piperidine-1-carboxamide
CID 71165123
N-(4-cyanophenyl)piperidine-1-carboxamide
CID 89462027
4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;methane
CID 159531960
N-(4-cyanophenyl)morpholine-4-carboxamide
CID 4984315
N-(4-cyanophenyl)-4-(4-methylphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 42882989
4-(3-chloro-2-pyridinyl)-4-fluoro-N-(5-methyl-2-pyridinyl)piperidine-1-carboxamide;methane
CID 161177971
N-(4-cyanophenyl)-4-(2,5-dimethylpyrrol-1-yl)piperidine-1-carboxamide
CID 47092621
N-(4-cyanophenyl)-4-formylpiperazine-1-carboxamide
CID 23875995
4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide
CID 113081072
N-(4-cyanophenyl)-4-pentylpiperazine-1-carboxamide
CID 113110843

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide (CID 11461873) is N-(4-cyanophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide is Cc1cccnc1C1(F)CCN(C(=O)Nc2ccc(C#N)cc2)CC1.
What is the InChIKey of N-(4-cyanophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide?
The InChIKey is XNZKBLOESGAVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-14-3-2-10-22-17(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,23,25).
What are the key properties of N-(4-cyanophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide?
N-(4-cyanophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 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 is sourced from PubChem (CID 11461873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).