2-[4-[4-[(3,4-dihydroxyoxan-2-yl)methylcarbamoyl]piperidin-1-yl]piperidin-1-yl]acetic acid;6-(trifluoromethyl)pyrazin-2-amine

C24H37F3N6O6 — CID 171556726

About 2-[4-[4-[(3,4-dihydroxyoxan-2-yl)methylcarbamoyl]piperidin-1-yl]piperidin-1-yl]acetic acid;6-(trifluoromethyl)pyrazin-2-amine

2-[4-[4-[(3,4-dihydroxyoxan-2-yl)methylcarbamoyl]piperidin-1-yl]piperidin-1-yl]acetic acid;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 171556726) has the molecular formula C24H37F3N6O6 and a molecular weight of 562.59 g/mol. Its IUPAC name is 2-[4-[4-[(3,4-dihydroxyoxan-2-yl)methylcarbamoyl]piperidin-1-yl]piperidin-1-yl]acetic acid;6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

• Compound Name: 2-[4-[4-[(3,4-dihydroxyoxan-2-yl)methylcarbamoyl]piperidin-1-yl]piperidin-1-yl]acetic acid;6-(trifluoromethyl)pyrazin-2-amine
• PubChem CID: 171556726
• Molecular Formula: C24H37F3N6O6
• Molecular Weight: 562.59 g/mol
• Exact Mass: 562.27
• IUPAC Name: 2-[4-[4-[(3,4-dihydroxyoxan-2-yl)methylcarbamoyl]piperidin-1-yl]piperidin-1-yl]acetic acid;6-(trifluoromethyl)pyrazin-2-amine
• SMILES: Nc1cncc(C(F)(F)F)n1.O=C(O)CN1CCC(N2CCC(C(=O)NCC3OCCC(O)C3O)CC2)CC1
• InChI: InChI=1S/C19H33N3O6.C5H4F3N3/c23-15-5-10-28-16(18(15)26)11-20-19(27)13-1-8-22(9-2-13)14-3-6-21(7-4-14)12-17(24)25;6-5(7,8)3-1-10-2-4(9)11-3/h13-16,18,23,26H,1-12H2,(H,20,27)(H,24,25);1-2H,(H2,9,11)
• InChIKey: SRKZBOJAYSBJOD-UHFFFAOYSA-N
• XLogP: -0.05
• TPSA: 174.37 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.59
LogP ≤ 5	-0.05
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(3,4-dihydroxyoxan-2-yl)methylcarbamoyl]piperidin-1-yl]piperidin-1-yl]acetic acid;6-(trifluoromethyl)pyrazin-2-amine?

The IUPAC name of 2-[4-[4-[(3,4-dihydroxyoxan-2-yl)methylcarbamoyl]piperidin-1-yl]piperidin-1-yl]acetic acid;6-(trifluoromethyl)pyrazin-2-amine (CID 171556726) is 2-[4-[4-[(3,4-dihydroxyoxan-2-yl)methylcarbamoyl]piperidin-1-yl]piperidin-1-yl]acetic acid;6-(trifluoromethyl)pyrazin-2-amine.

What is the SMILES notation for 2-[4-[4-[(3,4-dihydroxyoxan-2-yl)methylcarbamoyl]piperidin-1-yl]piperidin-1-yl]acetic acid;6-(trifluoromethyl)pyrazin-2-amine?

The canonical SMILES for 2-[4-[4-[(3,4-dihydroxyoxan-2-yl)methylcarbamoyl]piperidin-1-yl]piperidin-1-yl]acetic acid;6-(trifluoromethyl)pyrazin-2-amine is Nc1cncc(C(F)(F)F)n1.O=C(O)CN1CCC(N2CCC(C(=O)NCC3OCCC(O)C3O)CC2)CC1.

What is the InChIKey of 2-[4-[4-[(3,4-dihydroxyoxan-2-yl)methylcarbamoyl]piperidin-1-yl]piperidin-1-yl]acetic acid;6-(trifluoromethyl)pyrazin-2-amine?

The InChIKey is SRKZBOJAYSBJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O6.C5H4F3N3/c23-15-5-10-28-16(18(15)26)11-20-19(27)13-1-8-22(9-2-13)14-3-6-21(7-4-14)12-17(24)25;6-5(7,8)3-1-10-2-4(9)11-3/h13-16,18,23,26H,1-12H2,(H,20,27)(H,24,25);1-2H,(H2,9,11).

What are the key properties of 2-[4-[4-[(3,4-dihydroxyoxan-2-yl)methylcarbamoyl]piperidin-1-yl]piperidin-1-yl]acetic acid;6-(trifluoromethyl)pyrazin-2-amine?

2-[4-[4-[(3,4-dihydroxyoxan-2-yl)methylcarbamoyl]piperidin-1-yl]piperidin-1-yl]acetic acid;6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 562.59 g/mol, XLogP of -0.05, 6 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[(3,4-dihydroxyoxan-2-yl)methylcarbamoyl]piperidin-1-yl]piperidin-1-yl]acetic acid;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 171556726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).