N-[(2-fluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide

C19H23FN4O2 — CID 91907032

IUPACN-[(2-fluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide
SMILESCn1ncc(N2CCCC(CC(=O)NCc3ccccc3F)C2)cc1=O
InChIInChI=1S/C19H23FN4O2/c1-23-19(26)10-16(12-22-23)24-8-4-5-14(13-24)9-18(25)21-11-15-6-2-3-7-17(15)20/h2-3,6-7,10,12,14H,4-5,8-9,11,13H2,1H3,(H,21,25)
InChIKeyVOWREYAXHJRKFH-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.84
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide

N-[(2-fluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide (PubChem CID 91907032) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide
PubChem CID91907032
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide
SMILESCn1ncc(N2CCCC(CC(=O)NCc3ccccc3F)C2)cc1=O
InChIInChI=1S/C19H23FN4O2/c1-23-19(26)10-16(12-22-23)24-8-4-5-14(13-24)9-18(25)21-11-15-6-2-3-7-17(15)20/h2-3,6-7,10,12,14H,4-5,8-9,11,13H2,1H3,(H,21,25)
InChIKeyVOWREYAXHJRKFH-UHFFFAOYSA-N
XLogP1.84
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide (CID 91907032) is N-[(2-fluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide is Cn1ncc(N2CCCC(CC(=O)NCc3ccccc3F)C2)cc1=O.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide?
The InChIKey is VOWREYAXHJRKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-23-19(26)10-16(12-22-23)24-8-4-5-14(13-24)9-18(25)21-11-15-6-2-3-7-17(15)20/h2-3,6-7,10,12,14H,4-5,8-9,11,13H2,1H3,(H,21,25).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide?
N-[(2-fluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide has a molecular weight of 358.42 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 91907032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).