(3S)-N-[(4-fluorophenyl)methyl]-3-pyridazin-3-yloxypiperidine-1-carboxamide

C17H19FN4O2 — CID 100640493

IUPAC(3S)-N-[(4-fluorophenyl)methyl]-3-pyridazin-3-yloxypiperidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCC[C@H](Oc2cccnn2)C1
InChIInChI=1S/C17H19FN4O2/c18-14-7-5-13(6-8-14)11-19-17(23)22-10-2-3-15(12-22)24-16-4-1-9-20-21-16/h1,4-9,15H,2-3,10-12H2,(H,19,23)/t15-/m0/s1
InChIKeyUIZXSDJQFBJSLZ-HNNXBMFYSA-N
MW330.36 g/mol
LogP2.37
Rot. Bonds4

About (3S)-N-[(4-fluorophenyl)methyl]-3-pyridazin-3-yloxypiperidine-1-carboxamide

(3S)-N-[(4-fluorophenyl)methyl]-3-pyridazin-3-yloxypiperidine-1-carboxamide (PubChem CID 100640493) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is (3S)-N-[(4-fluorophenyl)methyl]-3-pyridazin-3-yloxypiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(4-fluorophenyl)methyl]-3-pyridazin-3-yloxypiperidine-1-carboxamide
PubChem CID100640493
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name(3S)-N-[(4-fluorophenyl)methyl]-3-pyridazin-3-yloxypiperidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCC[C@H](Oc2cccnn2)C1
InChIInChI=1S/C17H19FN4O2/c18-14-7-5-13(6-8-14)11-19-17(23)22-10-2-3-15(12-22)24-16-4-1-9-20-21-16/h1,4-9,15H,2-3,10-12H2,(H,19,23)/t15-/m0/s1
InChIKeyUIZXSDJQFBJSLZ-HNNXBMFYSA-N
XLogP2.37
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-pyridazin-3-yloxypiperidine-1-carboxamide
CID 90559393
3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 122258095
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638467
3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 90639799
2-cyclopentyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone
CID 100638394
1-(3-pyridazin-3-yloxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 91627703
N-(2-methoxyethyl)-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 91627281
N-propan-2-yl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638477
furan-3-yl-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100639672
(4-methylphenyl)-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100638429
1-[4-[(3R)-3-pyridazin-3-yloxypiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 100638372
3-(5-fluoropyrimidin-2-yl)oxy-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 122258593

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(4-fluorophenyl)methyl]-3-pyridazin-3-yloxypiperidine-1-carboxamide?
The IUPAC name of (3S)-N-[(4-fluorophenyl)methyl]-3-pyridazin-3-yloxypiperidine-1-carboxamide (CID 100640493) is (3S)-N-[(4-fluorophenyl)methyl]-3-pyridazin-3-yloxypiperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[(4-fluorophenyl)methyl]-3-pyridazin-3-yloxypiperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[(4-fluorophenyl)methyl]-3-pyridazin-3-yloxypiperidine-1-carboxamide is O=C(NCc1ccc(F)cc1)N1CCC[C@H](Oc2cccnn2)C1.
What is the InChIKey of (3S)-N-[(4-fluorophenyl)methyl]-3-pyridazin-3-yloxypiperidine-1-carboxamide?
The InChIKey is UIZXSDJQFBJSLZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c18-14-7-5-13(6-8-14)11-19-17(23)22-10-2-3-15(12-22)24-16-4-1-9-20-21-16/h1,4-9,15H,2-3,10-12H2,(H,19,23)/t15-/m0/s1.
What are the key properties of (3S)-N-[(4-fluorophenyl)methyl]-3-pyridazin-3-yloxypiperidine-1-carboxamide?
(3S)-N-[(4-fluorophenyl)methyl]-3-pyridazin-3-yloxypiperidine-1-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(4-fluorophenyl)methyl]-3-pyridazin-3-yloxypiperidine-1-carboxamide is sourced from PubChem (CID 100640493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).