(2R,6S)-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide

C24H39F3N6O — CID 166704687

About (2R,6S)-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide

(2R,6S)-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide (PubChem CID 166704687) has the molecular formula C24H39F3N6O and a molecular weight of 484.61 g/mol. Its IUPAC name is (2R,6S)-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: (2R,6S)-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide
• PubChem CID: 166704687
• Molecular Formula: C24H39F3N6O
• Molecular Weight: 484.61 g/mol
• Exact Mass: 484.31
• IUPAC Name: (2R,6S)-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide
• SMILES: C[C@@H]1CN(c2cnc(C(F)(F)F)cn2)C[C@H](C)N1C(=O)NCC1CCN(CCC(C)(C)C)CC1
• InChI: InChI=1S/C24H39F3N6O/c1-17-15-32(21-14-28-20(13-29-21)24(25,26)27)16-18(2)33(17)22(34)30-12-19-6-9-31(10-7-19)11-8-23(3,4)5/h13-14,17-19H,6-12,15-16H2,1-5H3,(H,30,34)/t17-,18+
• InChIKey: UUUPUOOBVZVHDX-HDICACEKSA-N
• XLogP: 4.25
• TPSA: 64.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.61
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide?

The IUPAC name of (2R,6S)-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide (CID 166704687) is (2R,6S)-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide.

What is the SMILES notation for (2R,6S)-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide?

The canonical SMILES for (2R,6S)-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide is C[C@@H]1CN(c2cnc(C(F)(F)F)cn2)C[C@H](C)N1C(=O)NCC1CCN(CCC(C)(C)C)CC1.

What is the InChIKey of (2R,6S)-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide?

The InChIKey is UUUPUOOBVZVHDX-HDICACEKSA-N. The full InChI is InChI=1S/C24H39F3N6O/c1-17-15-32(21-14-28-20(13-29-21)24(25,26)27)16-18(2)33(17)22(34)30-12-19-6-9-31(10-7-19)11-8-23(3,4)5/h13-14,17-19H,6-12,15-16H2,1-5H3,(H,30,34)/t17-,18+.

What are the key properties of (2R,6S)-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide?

(2R,6S)-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide has a molecular weight of 484.61 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,6S)-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 166704687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).