N-[(3-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide

C17H19FN4O2 — CID 53202041

IUPACN-[(3-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C17H19FN4O2/c18-14-3-1-2-12(8-14)10-19-17(24)13-4-6-22(7-5-13)15-9-16(23)21-20-11-15/h1-3,8-9,11,13H,4-7,10H2,(H,19,24)(H,21,23)
InChIKeyGEHKFVGOLZCLDI-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.44
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide

N-[(3-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide (PubChem CID 53202041) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
PubChem CID53202041
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC NameN-[(3-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C17H19FN4O2/c18-14-3-1-2-12(8-14)10-19-17(24)13-4-6-22(7-5-13)15-9-16(23)21-20-11-15/h1-3,8-9,11,13H,4-7,10H2,(H,19,24)(H,21,23)
InChIKeyGEHKFVGOLZCLDI-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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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide (CID 53202041) is N-[(3-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide is O=C(NCc1cccc(F)c1)C1CCN(c2cn[nH]c(=O)c2)CC1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
The InChIKey is GEHKFVGOLZCLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c18-14-3-1-2-12(8-14)10-19-17(24)13-4-6-22(7-5-13)15-9-16(23)21-20-11-15/h1-3,8-9,11,13H,4-7,10H2,(H,19,24)(H,21,23).
What are the key properties of N-[(3-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
N-[(3-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-[(3-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53202041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).