N,N-dimethyl-2-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetamide;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl]ethanone

C100H109F15N24O8 — CID 160868397

About N,N-dimethyl-2-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetamide;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl]ethanone

N,N-dimethyl-2-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetamide;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl]ethanone (PubChem CID 160868397) has the molecular formula C100H109F15N24O8 and a molecular weight of 2060.10 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetamide;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl]ethanone.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetamide;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl]ethanone
• PubChem CID: 160868397
• Molecular Formula: C100H109F15N24O8
• Molecular Weight: 2060.10 g/mol
• Exact Mass: 2058.86
• IUPAC Name: N,N-dimethyl-2-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetamide;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl]ethanone
• SMILES: CC(=O)N1CCc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2C1.CC(=O)N1CCn2c(nnc2C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)C1.CN(C)C(=O)Cc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.O=C(c1nnc2n1CCCC2)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nnc2n1CCNC2)N1CCC(c2ccccc2C(F)(F)F)CC1
• InChI: InChI=1S/C23H24F3N5O2.2C20H22F3N5O2.C19H21F3N4O.C18H20F3N5O/c1-29(2)20(32)13-15-7-8-19-27-28-21(31(19)14-15)22(33)30-11-9-16(10-12-30)17-5-3-4-6-18(17)23(24,25)26;1-13(29)27-11-8-17-24-25-18(28(17)12-27)19(30)26-9-6-14(7-10-26)15-4-2-3-5-16(15)20(21,22)23;1-13(29)27-10-11-28-17(12-27)24-25-18(28)19(30)26-8-6-14(7-9-26)15-4-2-3-5-16(15)20(21,22)23;20-19(21,22)15-6-2-1-5-14(15)13-8-11-25(12-9-13)18(27)17-24-23-16-7-3-4-10-26(16)17;19-18(20,21)14-4-2-1-3-13(14)12-5-8-25(9-6-12)17(27)16-24-23-15-11-22-7-10-26(15)16/h3-8,14,16H,9-13H2,1-2H3;2*2-5,14H,6-12H2,1H3;1-2,5-6,13H,3-4,7-12H2;1-4,12,22H,5-11H2
• InChIKey: SLKZPGKCPWBQTL-UHFFFAOYSA-N
• XLogP: 14.83
• TPSA: 327.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2060.10
LogP ≤ 5	14.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetamide;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl]ethanone?

The IUPAC name of N,N-dimethyl-2-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetamide;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl]ethanone (CID 160868397) is N,N-dimethyl-2-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetamide;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl]ethanone.

What is the SMILES notation for N,N-dimethyl-2-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetamide;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl]ethanone?

The canonical SMILES for N,N-dimethyl-2-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetamide;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl]ethanone is CC(=O)N1CCc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2C1.CC(=O)N1CCn2c(nnc2C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)C1.CN(C)C(=O)Cc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.O=C(c1nnc2n1CCCC2)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nnc2n1CCNC2)N1CCC(c2ccccc2C(F)(F)F)CC1.

What is the InChIKey of N,N-dimethyl-2-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetamide;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl]ethanone?

The InChIKey is SLKZPGKCPWBQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O2.2C20H22F3N5O2.C19H21F3N4O.C18H20F3N5O/c1-29(2)20(32)13-15-7-8-19-27-28-21(31(19)14-15)22(33)30-11-9-16(10-12-30)17-5-3-4-6-18(17)23(24,25)26;1-13(29)27-11-8-17-24-25-18(28(17)12-27)19(30)26-9-6-14(7-10-26)15-4-2-3-5-16(15)20(21,22)23;1-13(29)27-10-11-28-17(12-27)24-25-18(28)19(30)26-8-6-14(7-9-26)15-4-2-3-5-16(15)20(21,22)23;20-19(21,22)15-6-2-1-5-14(15)13-8-11-25(12-9-13)18(27)17-24-23-16-7-3-4-10-26(16)17;19-18(20,21)14-4-2-1-3-13(14)12-5-8-25(9-6-12)17(27)16-24-23-15-11-22-7-10-26(15)16/h3-8,14,16H,9-13H2,1-2H3;2*2-5,14H,6-12H2,1H3;1-2,5-6,13H,3-4,7-12H2;1-4,12,22H,5-11H2.

What are the key properties of N,N-dimethyl-2-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetamide;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl]ethanone?

N,N-dimethyl-2-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetamide;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl]ethanone has a molecular weight of 2060.10 g/mol, XLogP of 14.83, 12 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetamide;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 160868397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).