4-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1H-pyridazin-6-one

C20H24FN5O2 — CID 53203838

IUPAC4-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1H-pyridazin-6-one
SMILESO=C(C1CCCN(c2cn[nH]c(=O)c2)C1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FN5O2/c21-16-3-5-17(6-4-16)24-8-10-25(11-9-24)20(28)15-2-1-7-26(14-15)18-12-19(27)23-22-13-18/h3-6,12-13,15H,1-2,7-11,14H2,(H,23,27)
InChIKeyZCMNSAKQVUSOIO-UHFFFAOYSA-N
MW385.44 g/mol
LogP1.47
Rot. Bonds3

About 4-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1H-pyridazin-6-one

4-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1H-pyridazin-6-one (PubChem CID 53203838) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is 4-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1H-pyridazin-6-one
PubChem CID53203838
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name4-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1H-pyridazin-6-one
SMILESO=C(C1CCCN(c2cn[nH]c(=O)c2)C1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FN5O2/c21-16-3-5-17(6-4-16)24-8-10-25(11-9-24)20(28)15-2-1-7-26(14-15)18-12-19(27)23-22-13-18/h3-6,12-13,15H,1-2,7-11,14H2,(H,23,27)
InChIKeyZCMNSAKQVUSOIO-UHFFFAOYSA-N
XLogP1.47
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3R)-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 95115310
4-[(3R)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 95115266
ethyl 4-[1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 53203769
[(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 96557517
[(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 96557518
ethyl 1-[(3R)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 95115378
N-cyclopropyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 53203801
ethyl 1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxylate
CID 91654996
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-3-yl]methanone
CID 6487773
4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 107229402
(3S)-N-(3,4-dimethylphenyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115303
N-[(3-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 53203871

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 4-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1H-pyridazin-6-one (CID 53203838) is 4-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 4-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1H-pyridazin-6-one is O=C(C1CCCN(c2cn[nH]c(=O)c2)C1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1H-pyridazin-6-one?
The InChIKey is ZCMNSAKQVUSOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O2/c21-16-3-5-17(6-4-16)24-8-10-25(11-9-24)20(28)15-2-1-7-26(14-15)18-12-19(27)23-22-13-18/h3-6,12-13,15H,1-2,7-11,14H2,(H,23,27).
What are the key properties of 4-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1H-pyridazin-6-one?
4-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1H-pyridazin-6-one has a molecular weight of 385.44 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 53203838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).