[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone

C28H32FN5O — CID 30866801

IUPAC[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESO=C(C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C28H32FN5O/c29-25-8-6-23(7-9-25)26-10-11-27(31-30-26)33-16-13-24(14-17-33)28(35)34-20-18-32(19-21-34)15-12-22-4-2-1-3-5-22/h1-11,24H,12-21H2
InChIKeyDRAYVGCPDSDPFK-UHFFFAOYSA-N
MW473.60 g/mol
LogP3.89
Rot. Bonds6

About [1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone

[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone (PubChem CID 30866801) has the molecular formula C28H32FN5O and a molecular weight of 473.60 g/mol. Its IUPAC name is [1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
PubChem CID30866801
Molecular FormulaC28H32FN5O
Molecular Weight473.60 g/mol
Exact Mass473.26
IUPAC Name[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESO=C(C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C28H32FN5O/c29-25-8-6-23(7-9-25)26-10-11-27(31-30-26)33-16-13-24(14-17-33)28(35)34-20-18-32(19-21-34)15-12-22-4-2-1-3-5-22/h1-11,24H,12-21H2
InChIKeyDRAYVGCPDSDPFK-UHFFFAOYSA-N
XLogP3.89
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of [1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone (CID 30866801) is [1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone is O=C(C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of [1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is DRAYVGCPDSDPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN5O/c29-25-8-6-23(7-9-25)26-10-11-27(31-30-26)33-16-13-24(14-17-33)28(35)34-20-18-32(19-21-34)15-12-22-4-2-1-3-5-22/h1-11,24H,12-21H2.
What are the key properties of [1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 473.60 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 30866801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).