2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide

C18H18FN3O2 — CID 110821194

IUPAC2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)c2ccncc2)CC1)c1ccccc1F
InChIInChI=1S/C18H18FN3O2/c19-16-4-2-1-3-15(16)17(23)21-14-7-11-22(12-8-14)18(24)13-5-9-20-10-6-13/h1-6,9-10,14H,7-8,11-12H2,(H,21,23)
InChIKeyLXAPRVFDYNGXNK-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.26
Rot. Bonds3

About 2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide

2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide (PubChem CID 110821194) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide
PubChem CID110821194
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)c2ccncc2)CC1)c1ccccc1F
InChIInChI=1S/C18H18FN3O2/c19-16-4-2-1-3-15(16)17(23)21-14-7-11-22(12-8-14)18(24)13-5-9-20-10-6-13/h1-6,9-10,14H,7-8,11-12H2,(H,21,23)
InChIKeyLXAPRVFDYNGXNK-UHFFFAOYSA-N
XLogP2.26
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-fluorobenzamide
CID 108549393
2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297
2-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108549339
2-fluoro-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821143
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
N-[1-(2-methylbenzoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110820250
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331
3-[(2-fluorobenzoyl)amino]-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 46049084
4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119710955
N-[1-(2-fluorobenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108553997
N-(1-benzoylpiperidin-4-yl)-2-iodobenzamide
CID 108550283
2-fluoro-N-[1-(4-oxopentanoyl)piperidin-4-yl]benzamide
CID 108549392

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide?
The IUPAC name of 2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide (CID 110821194) is 2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)c2ccncc2)CC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide?
The InChIKey is LXAPRVFDYNGXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-16-4-2-1-3-15(16)17(23)21-14-7-11-22(12-8-14)18(24)13-5-9-20-10-6-13/h1-6,9-10,14H,7-8,11-12H2,(H,21,23).
What are the key properties of 2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide?
2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide has a molecular weight of 327.36 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 110821194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).