4-fluoro-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide

C17H17FN4O3 — CID 32506646

IUPAC4-fluoro-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)c2ccc(=O)[nH]n2)CC1)c1ccc(F)cc1
InChIInChI=1S/C17H17FN4O3/c18-12-3-1-11(2-4-12)16(24)19-13-7-9-22(10-8-13)17(25)14-5-6-15(23)21-20-14/h1-6,13H,7-10H2,(H,19,24)(H,21,23)
InChIKeyNIDXIQFHBGCIIB-UHFFFAOYSA-N
MW344.35 g/mol
LogP0.94
Rot. Bonds3

About 4-fluoro-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide

4-fluoro-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide (PubChem CID 32506646) has the molecular formula C17H17FN4O3 and a molecular weight of 344.35 g/mol. Its IUPAC name is 4-fluoro-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide
PubChem CID32506646
Molecular FormulaC17H17FN4O3
Molecular Weight344.35 g/mol
Exact Mass344.13
IUPAC Name4-fluoro-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)c2ccc(=O)[nH]n2)CC1)c1ccc(F)cc1
InChIInChI=1S/C17H17FN4O3/c18-12-3-1-11(2-4-12)16(24)19-13-7-9-22(10-8-13)17(25)14-5-6-15(23)21-20-14/h1-6,13H,7-10H2,(H,19,24)(H,21,23)
InChIKeyNIDXIQFHBGCIIB-UHFFFAOYSA-N
XLogP0.94
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110820443
4-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide
CID 108550523
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108555061
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108554976
5-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 108551744
[3-[[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108548550
N-[1-(2-chloropropanoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108561735
N-(1-chloropiperidin-4-yl)-4-fluorobenzamide
CID 89224691
N-[1-(2-cyanoacetyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108554971
N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenoxyacetamide
CID 108555834
4-[(4-fluorobenzoyl)amino]-N-methylpiperidine-1-carboxamide
CID 47162435
3-[4-(dimethylamino)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 110483200

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-fluoro-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide (CID 32506646) is 4-fluoro-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)c2ccc(=O)[nH]n2)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide?
The InChIKey is NIDXIQFHBGCIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3/c18-12-3-1-11(2-4-12)16(24)19-13-7-9-22(10-8-13)17(25)14-5-6-15(23)21-20-14/h1-6,13H,7-10H2,(H,19,24)(H,21,23).
What are the key properties of 4-fluoro-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide?
4-fluoro-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide has a molecular weight of 344.35 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 32506646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).