[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

C21H24F3N5O — CID 7292410

IUPAC[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1
InChIInChI=1S/C21H24F3N5O/c22-21(23,24)17-6-4-5-16(15-17)20(30)29-13-11-28(12-14-29)19-8-7-18(25-26-19)27-9-2-1-3-10-27/h4-8,15H,1-3,9-14H2
InChIKeyKMCGNTHZFNPPAN-UHFFFAOYSA-N
MW419.45 g/mol
LogP3.45
Rot. Bonds3

About [4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 7292410) has the molecular formula C21H24F3N5O and a molecular weight of 419.45 g/mol. Its IUPAC name is [4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID7292410
Molecular FormulaC21H24F3N5O
Molecular Weight419.45 g/mol
Exact Mass419.19
IUPAC Name[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1
InChIInChI=1S/C21H24F3N5O/c22-21(23,24)17-6-4-5-16(15-17)20(30)29-13-11-28(12-14-29)19-8-7-18(25-26-19)27-9-2-1-3-10-27/h4-8,15H,1-3,9-14H2
InChIKeyKMCGNTHZFNPPAN-UHFFFAOYSA-N
XLogP3.45
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 7292410) is [4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1.
What is the InChIKey of [4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is KMCGNTHZFNPPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O/c22-21(23,24)17-6-4-5-16(15-17)20(30)29-13-11-28(12-14-29)19-8-7-18(25-26-19)27-9-2-1-3-10-27/h4-8,15H,1-3,9-14H2.
What are the key properties of [4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 419.45 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 7292410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).