3,3,3-trifluoro-2,2-dimethyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one

C17H26F3N3O — CID 155207496

IUPAC3,3,3-trifluoro-2,2-dimethyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one
SMILESCCCc1cnn(C2(C)CCN(C(=O)C(C)(C)C(F)(F)F)CC2)c1
InChIInChI=1S/C17H26F3N3O/c1-5-6-13-11-21-23(12-13)16(4)7-9-22(10-8-16)14(24)15(2,3)17(18,19)20/h11-12H,5-10H2,1-4H3
InChIKeyHABWGSIRMALBFW-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.76
Rot. Bonds4

About 3,3,3-trifluoro-2,2-dimethyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one

3,3,3-trifluoro-2,2-dimethyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one (PubChem CID 155207496) has the molecular formula C17H26F3N3O and a molecular weight of 345.41 g/mol. Its IUPAC name is 3,3,3-trifluoro-2,2-dimethyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-2,2-dimethyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one
PubChem CID155207496
Molecular FormulaC17H26F3N3O
Molecular Weight345.41 g/mol
Exact Mass345.20
IUPAC Name3,3,3-trifluoro-2,2-dimethyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one
SMILESCCCc1cnn(C2(C)CCN(C(=O)C(C)(C)C(F)(F)F)CC2)c1
InChIInChI=1S/C17H26F3N3O/c1-5-6-13-11-21-23(12-13)16(4)7-9-22(10-8-16)14(24)15(2,3)17(18,19)20/h11-12H,5-10H2,1-4H3
InChIKeyHABWGSIRMALBFW-UHFFFAOYSA-N
XLogP3.76
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-2,2-dimethyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

1-(cyclobutylcarbonyl)-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-4-piperidinecarboxamide
CID 72888061
1-isopropyl-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72915942
N-methyl-3-[(3R)-1-methylpiperidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide
CID 97202138
1-[(4S)-3,3-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]ethanone
CID 164629923
2,2,2-Trifluoro-1-[4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 153301078
4-Methyl-4-(4-propylpyrazol-1-yl)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine
CID 155207501
3-Fluoro-2,2-dimethyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
CID 155207530
[4-Methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone
CID 155207964
[4-(4-Propylpyrazol-1-yl)piperidin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone
CID 155710269
2-Fluoro-2-methyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one;3,3,3-trifluoro-2,2-dimethyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
CID 155710451
2-Fluoro-2-methyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
CID 155710452
3,3,3-Trifluoro-2,2-dimethyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
CID 155710453

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2,2-dimethyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3,3,3-trifluoro-2,2-dimethyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one (CID 155207496) is 3,3,3-trifluoro-2,2-dimethyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-2,2-dimethyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-2,2-dimethyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one is CCCc1cnn(C2(C)CCN(C(=O)C(C)(C)C(F)(F)F)CC2)c1.
What is the InChIKey of 3,3,3-trifluoro-2,2-dimethyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one?
The InChIKey is HABWGSIRMALBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N3O/c1-5-6-13-11-21-23(12-13)16(4)7-9-22(10-8-16)14(24)15(2,3)17(18,19)20/h11-12H,5-10H2,1-4H3.
What are the key properties of 3,3,3-trifluoro-2,2-dimethyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one?
3,3,3-trifluoro-2,2-dimethyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one has a molecular weight of 345.41 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2,2-dimethyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 155207496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).