3-(1,2,4-triazol-4-yl)-N-[[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methyl]propanamide

C15H22F3N5O2 — CID 131947788

IUPAC3-(1,2,4-triazol-4-yl)-N-[[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methyl]propanamide
SMILESO=C(CCn1cnnc1)NCC1CCN(C(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C15H22F3N5O2/c16-15(17,18)5-1-14(25)23-7-2-12(3-8-23)9-19-13(24)4-6-22-10-20-21-11-22/h10-12H,1-9H2,(H,19,24)
InChIKeyULUWVRASVXADFW-UHFFFAOYSA-N
MW361.37 g/mol
LogP1.37
Rot. Bonds7

About 3-(1,2,4-triazol-4-yl)-N-[[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methyl]propanamide

3-(1,2,4-triazol-4-yl)-N-[[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methyl]propanamide (PubChem CID 131947788) has the molecular formula C15H22F3N5O2 and a molecular weight of 361.37 g/mol. Its IUPAC name is 3-(1,2,4-triazol-4-yl)-N-[[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(1,2,4-triazol-4-yl)-N-[[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methyl]propanamide
PubChem CID131947788
Molecular FormulaC15H22F3N5O2
Molecular Weight361.37 g/mol
Exact Mass361.17
IUPAC Name3-(1,2,4-triazol-4-yl)-N-[[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methyl]propanamide
SMILESO=C(CCn1cnnc1)NCC1CCN(C(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C15H22F3N5O2/c16-15(17,18)5-1-14(25)23-7-2-12(3-8-23)9-19-13(24)4-6-22-10-20-21-11-22/h10-12H,1-9H2,(H,19,24)
InChIKeyULUWVRASVXADFW-UHFFFAOYSA-N
XLogP1.37
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,4-triazol-4-yl)-N-[[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methyl]propanamide?
The IUPAC name of 3-(1,2,4-triazol-4-yl)-N-[[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methyl]propanamide (CID 131947788) is 3-(1,2,4-triazol-4-yl)-N-[[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for 3-(1,2,4-triazol-4-yl)-N-[[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methyl]propanamide?
The canonical SMILES for 3-(1,2,4-triazol-4-yl)-N-[[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methyl]propanamide is O=C(CCn1cnnc1)NCC1CCN(C(=O)CCC(F)(F)F)CC1.
What is the InChIKey of 3-(1,2,4-triazol-4-yl)-N-[[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methyl]propanamide?
The InChIKey is ULUWVRASVXADFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N5O2/c16-15(17,18)5-1-14(25)23-7-2-12(3-8-23)9-19-13(24)4-6-22-10-20-21-11-22/h10-12H,1-9H2,(H,19,24).
What are the key properties of 3-(1,2,4-triazol-4-yl)-N-[[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methyl]propanamide?
3-(1,2,4-triazol-4-yl)-N-[[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methyl]propanamide has a molecular weight of 361.37 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-triazol-4-yl)-N-[[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 131947788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).