1-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one

C15H24F3N5O — CID 70760520

IUPAC1-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one
SMILESCN(C)Cc1nnc(C2CCN(C(=O)CCC(F)(F)F)CC2)n1C
InChIInChI=1S/C15H24F3N5O/c1-21(2)10-12-19-20-14(22(12)3)11-5-8-23(9-6-11)13(24)4-7-15(16,17)18/h11H,4-10H2,1-3H3
InChIKeyRPMRYEBZVSJVPG-UHFFFAOYSA-N
MW347.39 g/mol
LogP1.93
Rot. Bonds5

About 1-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one

1-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one (PubChem CID 70760520) has the molecular formula C15H24F3N5O and a molecular weight of 347.39 g/mol. Its IUPAC name is 1-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one.

Molecular Properties

Compound Name1-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one
PubChem CID70760520
Molecular FormulaC15H24F3N5O
Molecular Weight347.39 g/mol
Exact Mass347.19
IUPAC Name1-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one
SMILESCN(C)Cc1nnc(C2CCN(C(=O)CCC(F)(F)F)CC2)n1C
InChIInChI=1S/C15H24F3N5O/c1-21(2)10-12-19-20-14(22(12)3)11-5-8-23(9-6-11)13(24)4-7-15(16,17)18/h11H,4-10H2,1-3H3
InChIKeyRPMRYEBZVSJVPG-UHFFFAOYSA-N
XLogP1.93
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one with MolForge

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Related Compounds

({5-[1-(aminoacetyl)-4-piperidinyl]-4-cyclopropyl-4H-1,2,4-triazol-3-yl}methyl)dimethylamine dihydrochloride
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Cyclopropyl-[4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
CID 91919511
1-[3-(Propan-2-YL)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-A]pyrazin-7-YL]pentan-1-one
CID 53193646
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CID 129625577
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CID 136531551
2-cyclopropyl-N,2-dimethyl-N-{[6-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}propanamide
CID 132391835
1-ethyl-N-methyl-N-{[8-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}cyclopropane-1-carboxamide
CID 136560297
2-methyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one
CID 57906455
1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one
CID 59638567

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one?
The IUPAC name of 1-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one (CID 70760520) is 1-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one.
What is the SMILES notation for 1-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one?
The canonical SMILES for 1-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one is CN(C)Cc1nnc(C2CCN(C(=O)CCC(F)(F)F)CC2)n1C.
What is the InChIKey of 1-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one?
The InChIKey is RPMRYEBZVSJVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N5O/c1-21(2)10-12-19-20-14(22(12)3)11-5-8-23(9-6-11)13(24)4-7-15(16,17)18/h11H,4-10H2,1-3H3.
What are the key properties of 1-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one?
1-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one has a molecular weight of 347.39 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one is sourced from PubChem (CID 70760520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).