[1-(6-phenylpyridazin-3-yl)piperidin-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

C22H26F3N5O — CID 163351464

IUPAC[1-(6-phenylpyridazin-3-yl)piperidin-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCN(c2ccc(-c3ccccc3)nn2)C1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C22H26F3N5O/c23-22(24,25)16-28-11-13-29(14-12-28)21(31)18-7-4-10-30(15-18)20-9-8-19(26-27-20)17-5-2-1-3-6-17/h1-3,5-6,8-9,18H,4,7,10-16H2
InChIKeyXRQMOGZXXRWJCR-UHFFFAOYSA-N
MW433.48 g/mol
LogP3.07
Rot. Bonds4

About [1-(6-phenylpyridazin-3-yl)piperidin-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

[1-(6-phenylpyridazin-3-yl)piperidin-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 163351464) has the molecular formula C22H26F3N5O and a molecular weight of 433.48 g/mol. Its IUPAC name is [1-(6-phenylpyridazin-3-yl)piperidin-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(6-phenylpyridazin-3-yl)piperidin-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID163351464
Molecular FormulaC22H26F3N5O
Molecular Weight433.48 g/mol
Exact Mass433.21
IUPAC Name[1-(6-phenylpyridazin-3-yl)piperidin-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCN(c2ccc(-c3ccccc3)nn2)C1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C22H26F3N5O/c23-22(24,25)16-28-11-13-29(14-12-28)21(31)18-7-4-10-30(15-18)20-9-8-19(26-27-20)17-5-2-1-3-6-17/h1-3,5-6,8-9,18H,4,7,10-16H2
InChIKeyXRQMOGZXXRWJCR-UHFFFAOYSA-N
XLogP3.07
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(6-phenylpyridazin-3-yl)piperidin-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(4-methylpiperidin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-3-yl]methanone
CID 53025387
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(3S)-1-(6-phenylpyridazin-3-yl)piperidin-3-yl]methanone
CID 51691251
[(3R)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93055749
(4-benzylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
CID 30866604
(1-pyrimidin-2-ylpiperidin-3-yl)-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone
CID 55850146
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121070942
1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 116972743
1-[6-(3,5-difluorophenyl)pyridazin-3-yl]piperidine-3-carboxylic acid
CID 56770353
(3R)-N-[(2-chlorophenyl)methyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30351172
[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 90514850
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121071094
(3S)-N-(4-chlorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30351128

Frequently Asked Questions

What is the IUPAC name of [1-(6-phenylpyridazin-3-yl)piperidin-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(6-phenylpyridazin-3-yl)piperidin-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 163351464) is [1-(6-phenylpyridazin-3-yl)piperidin-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(6-phenylpyridazin-3-yl)piperidin-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(6-phenylpyridazin-3-yl)piperidin-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is O=C(C1CCCN(c2ccc(-c3ccccc3)nn2)C1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of [1-(6-phenylpyridazin-3-yl)piperidin-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is XRQMOGZXXRWJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O/c23-22(24,25)16-28-11-13-29(14-12-28)21(31)18-7-4-10-30(15-18)20-9-8-19(26-27-20)17-5-2-1-3-6-17/h1-3,5-6,8-9,18H,4,7,10-16H2.
What are the key properties of [1-(6-phenylpyridazin-3-yl)piperidin-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
[1-(6-phenylpyridazin-3-yl)piperidin-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 433.48 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-phenylpyridazin-3-yl)piperidin-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 163351464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).