[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone

C18H26F3N3O — CID 155207964

IUPAC[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone
SMILESCCCc1cnn(C2(C)CCN(C(=O)C3(C(F)(F)F)CCC3)CC2)c1
InChIInChI=1S/C18H26F3N3O/c1-3-5-14-12-22-24(13-14)16(2)8-10-23(11-9-16)15(25)17(6-4-7-17)18(19,20)21/h12-13H,3-11H2,1-2H3
InChIKeyVMBTZIXBLZTVPS-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.91
Rot. Bonds4

About [4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone

[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone (PubChem CID 155207964) has the molecular formula C18H26F3N3O and a molecular weight of 357.42 g/mol. Its IUPAC name is [4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone.

Molecular Properties

Compound Name[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone
PubChem CID155207964
Molecular FormulaC18H26F3N3O
Molecular Weight357.42 g/mol
Exact Mass357.20
IUPAC Name[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone
SMILESCCCc1cnn(C2(C)CCN(C(=O)C3(C(F)(F)F)CCC3)CC2)c1
InChIInChI=1S/C18H26F3N3O/c1-3-5-14-12-22-24(13-14)16(2)8-10-23(11-9-16)15(25)17(6-4-7-17)18(19,20)21/h12-13H,3-11H2,1-2H3
InChIKeyVMBTZIXBLZTVPS-UHFFFAOYSA-N
XLogP3.91
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
3,3,3-Trifluoro-2,2-dimethyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 155207496
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-(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 [4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone?
The IUPAC name of [4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone (CID 155207964) is [4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone.
What is the SMILES notation for [4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone?
The canonical SMILES for [4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone is CCCc1cnn(C2(C)CCN(C(=O)C3(C(F)(F)F)CCC3)CC2)c1.
What is the InChIKey of [4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone?
The InChIKey is VMBTZIXBLZTVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3O/c1-3-5-14-12-22-24(13-14)16(2)8-10-23(11-9-16)15(25)17(6-4-7-17)18(19,20)21/h12-13H,3-11H2,1-2H3.
What are the key properties of [4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone?
[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone has a molecular weight of 357.42 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone is sourced from PubChem (CID 155207964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).