[4-(4-fluorophenyl)piperazin-1-yl]-[1-(6-morpholin-4-ylpyridazin-3-yl)piperidin-4-yl]methanone

C24H31FN6O2 — CID 3243752

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-[1-(6-morpholin-4-ylpyridazin-3-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ccc(N3CCOCC3)nn2)CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H31FN6O2/c25-20-1-3-21(4-2-20)28-11-13-31(14-12-28)24(32)19-7-9-29(10-8-19)22-5-6-23(27-26-22)30-15-17-33-18-16-30/h1-6,19H,7-18H2
InChIKeyUIFGSJGZSYNKHG-UHFFFAOYSA-N
MW454.55 g/mol
LogP2.02
Rot. Bonds4

About [4-(4-fluorophenyl)piperazin-1-yl]-[1-(6-morpholin-4-ylpyridazin-3-yl)piperidin-4-yl]methanone

[4-(4-fluorophenyl)piperazin-1-yl]-[1-(6-morpholin-4-ylpyridazin-3-yl)piperidin-4-yl]methanone (PubChem CID 3243752) has the molecular formula C24H31FN6O2 and a molecular weight of 454.55 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-[1-(6-morpholin-4-ylpyridazin-3-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-[1-(6-morpholin-4-ylpyridazin-3-yl)piperidin-4-yl]methanone
PubChem CID3243752
Molecular FormulaC24H31FN6O2
Molecular Weight454.55 g/mol
Exact Mass454.25
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-[1-(6-morpholin-4-ylpyridazin-3-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ccc(N3CCOCC3)nn2)CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H31FN6O2/c25-20-1-3-21(4-2-20)28-11-13-31(14-12-28)24(32)19-7-9-29(10-8-19)22-5-6-23(27-26-22)30-15-17-33-18-16-30/h1-6,19H,7-18H2
InChIKeyUIFGSJGZSYNKHG-UHFFFAOYSA-N
XLogP2.02
TPSA65.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[1-(6-morpholin-4-ylpyridazin-3-yl)piperidin-4-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[1-(6-morpholin-4-ylpyridazin-3-yl)piperidin-4-yl]methanone (CID 3243752) is [4-(4-fluorophenyl)piperazin-1-yl]-[1-(6-morpholin-4-ylpyridazin-3-yl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-[1-(6-morpholin-4-ylpyridazin-3-yl)piperidin-4-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-[1-(6-morpholin-4-ylpyridazin-3-yl)piperidin-4-yl]methanone is O=C(C1CCN(c2ccc(N3CCOCC3)nn2)CC1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-[1-(6-morpholin-4-ylpyridazin-3-yl)piperidin-4-yl]methanone?
The InChIKey is UIFGSJGZSYNKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN6O2/c25-20-1-3-21(4-2-20)28-11-13-31(14-12-28)24(32)19-7-9-29(10-8-19)22-5-6-23(27-26-22)30-15-17-33-18-16-30/h1-6,19H,7-18H2.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-[1-(6-morpholin-4-ylpyridazin-3-yl)piperidin-4-yl]methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(6-morpholin-4-ylpyridazin-3-yl)piperidin-4-yl]methanone has a molecular weight of 454.55 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-[1-(6-morpholin-4-ylpyridazin-3-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 3243752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).