2-(4-fluorophenoxy)-N-(1-pyridazin-3-ylpiperidin-3-yl)acetamide

C17H19FN4O2 — CID 122137262

IUPAC2-(4-fluorophenoxy)-N-(1-pyridazin-3-ylpiperidin-3-yl)acetamide
SMILESO=C(COc1ccc(F)cc1)NC1CCCN(c2cccnn2)C1
InChIInChI=1S/C17H19FN4O2/c18-13-5-7-15(8-6-13)24-12-17(23)20-14-3-2-10-22(11-14)16-4-1-9-19-21-16/h1,4-9,14H,2-3,10-12H2,(H,20,23)
InChIKeyUMIIFVVZKRALAK-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.78
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-(1-pyridazin-3-ylpiperidin-3-yl)acetamide

2-(4-fluorophenoxy)-N-(1-pyridazin-3-ylpiperidin-3-yl)acetamide (PubChem CID 122137262) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(1-pyridazin-3-ylpiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(1-pyridazin-3-ylpiperidin-3-yl)acetamide
PubChem CID122137262
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name2-(4-fluorophenoxy)-N-(1-pyridazin-3-ylpiperidin-3-yl)acetamide
SMILESO=C(COc1ccc(F)cc1)NC1CCCN(c2cccnn2)C1
InChIInChI=1S/C17H19FN4O2/c18-13-5-7-15(8-6-13)24-12-17(23)20-14-3-2-10-22(11-14)16-4-1-9-19-21-16/h1,4-9,14H,2-3,10-12H2,(H,20,23)
InChIKeyUMIIFVVZKRALAK-UHFFFAOYSA-N
XLogP1.78
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide;hydrochloride
CID 120872944
(1R)-1-(4-fluorophenyl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]ethanol
CID 95338968
2-(4-phenylmethoxyphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 55802771
3-chloro-2-fluoro-4-methyl-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]benzamide
CID 124886342
(3S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 129375184
N-[(3R)-2-oxoazepan-3-yl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide
CID 95599997
(3R)-N-(2-methylsulfonylethyl)-1-pyridazin-3-ylpiperidin-3-amine
CID 95331275
(3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545142
3-phenoxy-N-(1-pyridin-2-ylpiperidin-3-yl)propanamide
CID 110107081
1-pyridazin-3-yl-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-3-amine
CID 119125214
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(4-methylphenoxy)acetamide
CID 86965648
methyl 5-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]carbamoyl]furan-3-carboxylate
CID 124616870

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(1-pyridazin-3-ylpiperidin-3-yl)acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(1-pyridazin-3-ylpiperidin-3-yl)acetamide (CID 122137262) is 2-(4-fluorophenoxy)-N-(1-pyridazin-3-ylpiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(1-pyridazin-3-ylpiperidin-3-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(1-pyridazin-3-ylpiperidin-3-yl)acetamide is O=C(COc1ccc(F)cc1)NC1CCCN(c2cccnn2)C1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(1-pyridazin-3-ylpiperidin-3-yl)acetamide?
The InChIKey is UMIIFVVZKRALAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c18-13-5-7-15(8-6-13)24-12-17(23)20-14-3-2-10-22(11-14)16-4-1-9-19-21-16/h1,4-9,14H,2-3,10-12H2,(H,20,23).
What are the key properties of 2-(4-fluorophenoxy)-N-(1-pyridazin-3-ylpiperidin-3-yl)acetamide?
2-(4-fluorophenoxy)-N-(1-pyridazin-3-ylpiperidin-3-yl)acetamide has a molecular weight of 330.36 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(1-pyridazin-3-ylpiperidin-3-yl)acetamide is sourced from PubChem (CID 122137262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).