N-(1-acetylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide

C13H16FN3O2 — CID 113240920

IUPACN-(1-acetylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2ccncc2F)CC1
InChIInChI=1S/C13H16FN3O2/c1-9(18)17-6-3-10(4-7-17)16-13(19)11-2-5-15-8-12(11)14/h2,5,8,10H,3-4,6-7H2,1H3,(H,16,19)
InChIKeyYUBAYXSPENHVFU-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.96
Rot. Bonds2

About N-(1-acetylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide

N-(1-acetylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide (PubChem CID 113240920) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide
PubChem CID113240920
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC NameN-(1-acetylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2ccncc2F)CC1
InChIInChI=1S/C13H16FN3O2/c1-9(18)17-6-3-10(4-7-17)16-13(19)11-2-5-15-8-12(11)14/h2,5,8,10H,3-4,6-7H2,1H3,(H,16,19)
InChIKeyYUBAYXSPENHVFU-UHFFFAOYSA-N
XLogP0.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide
CID 115646277
N-cyclohexyl-3-fluoropyridine-4-carboxamide
CID 64950507
3-fluoro-N-(4-hydroxycyclohexyl)pyridine-4-carboxamide
CID 64950701
N-(4-aminocyclohexyl)-3-fluoropyridine-4-carboxamide
CID 64950869
N-(1-acetylpiperidin-4-yl)-2,3-difluoropyridine-4-carboxamide
CID 105380733
N-(1,1-dioxothian-4-yl)-3-fluoropyridine-4-carboxamide
CID 115646668
3-fluoro-N-piperidin-4-ylpyridine-4-carboxamide;dihydrochloride
CID 117073389
3-fluoro-N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]pyridine-4-carboxamide
CID 126853296
N-(3-aminocyclobutyl)-3-fluoropyridine-4-carboxamide
CID 64951103
[4-(ethylamino)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64950641
2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide
CID 110821194
N-[1-(1,3-dimethyl-2,4-dioxo-5H-pyrimidin-1-ium-5-yl)piperidin-4-yl]-3-fluoropyridine-4-carboxamide
CID 167997054

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide (CID 113240920) is N-(1-acetylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide is CC(=O)N1CCC(NC(=O)c2ccncc2F)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide?
The InChIKey is YUBAYXSPENHVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-9(18)17-6-3-10(4-7-17)16-13(19)11-2-5-15-8-12(11)14/h2,5,8,10H,3-4,6-7H2,1H3,(H,16,19).
What are the key properties of N-(1-acetylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide?
N-(1-acetylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide has a molecular weight of 265.29 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 113240920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).