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

C19H23FN4O2 — CID 91917412

IUPACN-[(3-fluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide
SMILESCn1ncc(N2CCCC(CC(=O)NCc3cccc(F)c3)C2)cc1=O
InChIInChI=1S/C19H23FN4O2/c1-23-19(26)10-17(12-22-23)24-7-3-5-15(13-24)9-18(25)21-11-14-4-2-6-16(20)8-14/h2,4,6,8,10,12,15H,3,5,7,9,11,13H2,1H3,(H,21,25)
InChIKeyMZRHTBPJDGACPB-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.84
Rot. Bonds5

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

N-[(3-fluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide (PubChem CID 91917412) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide
PubChem CID91917412
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC NameN-[(3-fluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide
SMILESCn1ncc(N2CCCC(CC(=O)NCc3cccc(F)c3)C2)cc1=O
InChIInChI=1S/C19H23FN4O2/c1-23-19(26)10-17(12-22-23)24-7-3-5-15(13-24)9-18(25)21-11-14-4-2-6-16(20)8-14/h2,4,6,8,10,12,15H,3,5,7,9,11,13H2,1H3,(H,21,25)
InChIKeyMZRHTBPJDGACPB-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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Related Compounds

N-benzyl-N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide
CID 91917398
2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 91917388
2-methyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one
CID 91917430
N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide
CID 91909576
(3R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 95115725
N-[(4-chlorophenyl)methyl]-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide
CID 91906995
N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 91907040
2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 91917485
(3S)-1-(1-methyl-6-oxopyridazin-4-yl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 95115690
2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 91917545
N-[(3-fluorophenyl)methyl]-2-piperidin-3-ylacetamide
CID 55105179
1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 53203964

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide (CID 91917412) is N-[(3-fluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide is Cn1ncc(N2CCCC(CC(=O)NCc3cccc(F)c3)C2)cc1=O.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide?
The InChIKey is MZRHTBPJDGACPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-23-19(26)10-17(12-22-23)24-7-3-5-15(13-24)9-18(25)21-11-14-4-2-6-16(20)8-14/h2,4,6,8,10,12,15H,3,5,7,9,11,13H2,1H3,(H,21,25).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide?
N-[(3-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-[(3-fluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 91917412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).