N-[(4-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide

C17H19FN4O2 — CID 53202030

IUPACN-[(4-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C17H19FN4O2/c18-14-3-1-12(2-4-14)10-19-17(24)13-5-7-22(8-6-13)15-9-16(23)21-20-11-15/h1-4,9,11,13H,5-8,10H2,(H,19,24)(H,21,23)
InChIKeyBKPYGABYFKYYGD-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.44
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide (PubChem CID 53202030) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
PubChem CID53202030
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C17H19FN4O2/c18-14-3-1-12(2-4-14)10-19-17(24)13-5-7-22(8-6-13)15-9-16(23)21-20-11-15/h1-4,9,11,13H,5-8,10H2,(H,19,24)(H,21,23)
InChIKeyBKPYGABYFKYYGD-UHFFFAOYSA-N
XLogP1.44
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-propan-2-yl-1H-pyridazin-6-one
CID 138472065
4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 138483771
US10239861, Example 42
CID 121476433
US10239861, Example 56
CID 121476442
N-[(3,5-Difluorophenyl)methyl]-2-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-3-YL]acetamide
CID 91907033
N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]-2-(2-fluorophenyl)acetamide
CID 91911787
N-(2-Fluorophenyl)-2-[1-(6-oxo-1,6-dihydropyridazin-4-YL)piperidin-3-YL]acetamide
CID 91917368
1-(1-Benzyl-6-oxo-1,6-dihydropyridazin-4-YL)-N-{[2-(trifluoromethyl)phenyl]methyl}piperidine-3-carboxamide
CID 53204165
2-{1-[1-(Cyclopropylmethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-3-YL}-N-(3-fluorophenyl)acetamide
CID 91907122
4-Methyl-5-[4-[(2-methylphenyl)methyl]-3-oxo-1-piperazinyl]-3(2H)-pyridazinone
CID 138472270
N-Benzyl-2-{1-[1-(cyclopropylmethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-3-YL}acetamide
CID 91907138
1-(1-(4-Fluorobenzyl)-6-oxo-1,6-dihydropyridazine-3-carbonyl)piperidine-4-carboxamide
CID 27376603

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide (CID 53202030) is N-[(4-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide is O=C(NCc1ccc(F)cc1)C1CCN(c2cn[nH]c(=O)c2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
The InChIKey is BKPYGABYFKYYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c18-14-3-1-12(2-4-14)10-19-17(24)13-5-7-22(8-6-13)15-9-16(23)21-20-11-15/h1-4,9,11,13H,5-8,10H2,(H,19,24)(H,21,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53202030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).