[(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C20H23ClFN5O — CID 96557518

IUPAC[(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C([C@H]1CCCN(c2ccc(Cl)nn2)C1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H23ClFN5O/c21-18-7-8-19(24-23-18)27-9-1-2-15(14-27)20(28)26-12-10-25(11-13-26)17-5-3-16(22)4-6-17/h3-8,15H,1-2,9-14H2/t15-/m0/s1
InChIKeyXUZXCAKVSBCKSO-HNNXBMFYSA-N
MW403.89 g/mol
LogP2.83
Rot. Bonds3

About [(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

[(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 96557518) has the molecular formula C20H23ClFN5O and a molecular weight of 403.89 g/mol. Its IUPAC name is [(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID96557518
Molecular FormulaC20H23ClFN5O
Molecular Weight403.89 g/mol
Exact Mass403.16
IUPAC Name[(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C([C@H]1CCCN(c2ccc(Cl)nn2)C1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H23ClFN5O/c21-18-7-8-19(24-23-18)27-9-1-2-15(14-27)20(28)26-12-10-25(11-13-26)17-5-3-16(22)4-6-17/h3-8,15H,1-2,9-14H2/t15-/m0/s1
InChIKeyXUZXCAKVSBCKSO-HNNXBMFYSA-N
XLogP2.83
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 96557517
[(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 96557217
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121070942
[(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 94178167
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121118547
[4-(4-chlorophenyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 90601157
4-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 53203838
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121071094
[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
CID 75361395
(3S)-1-(6-chloropyridazin-3-yl)-N-[(S)-(4-fluorophenyl)-phenylmethyl]piperidine-3-carboxamide
CID 51956085
[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 90514724
[4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 92889606

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 96557518) is [(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is O=C([C@H]1CCCN(c2ccc(Cl)nn2)C1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is XUZXCAKVSBCKSO-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23ClFN5O/c21-18-7-8-19(24-23-18)27-9-1-2-15(14-27)20(28)26-12-10-25(11-13-26)17-5-3-16(22)4-6-17/h3-8,15H,1-2,9-14H2/t15-/m0/s1.
What are the key properties of [(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
[(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 403.89 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 96557518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).