1-N-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-yl]-2-N-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclohexane-1,2-diamine

C32H35F3N6O2 — CID 78043428

About 1-N-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-yl]-2-N-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclohexane-1,2-diamine

1-N-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-yl]-2-N-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclohexane-1,2-diamine (PubChem CID 78043428) has the molecular formula C32H35F3N6O2 and a molecular weight of 592.67 g/mol. Its IUPAC name is 1-N-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-yl]-2-N-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclohexane-1,2-diamine.

Molecular Properties

• Compound Name: 1-N-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-yl]-2-N-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclohexane-1,2-diamine
• PubChem CID: 78043428
• Molecular Formula: C32H35F3N6O2
• Molecular Weight: 592.67 g/mol
• Exact Mass: 592.28
• IUPAC Name: 1-N-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-yl]-2-N-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclohexane-1,2-diamine
• SMILES: Cc1nnc(-c2ccc(N3CCCC(NC4CCCCC4Nc4cc(-c5cccc(OC(F)(F)F)c5)ccn4)C3)cc2)o1
• InChI: InChI=1S/C32H35F3N6O2/c1-21-39-40-31(42-21)22-11-13-26(14-12-22)41-17-5-7-25(20-41)37-28-9-2-3-10-29(28)38-30-19-24(15-16-36-30)23-6-4-8-27(18-23)43-32(33,34)35/h4,6,8,11-16,18-19,25,28-29,37H,2-3,5,7,9-10,17,20H2,1H3,(H,36,38)
• InChIKey: DSZYTKUCYQNASP-UHFFFAOYSA-N
• XLogP: 6.99
• TPSA: 88.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.67
LogP ≤ 5	6.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-yl]-2-N-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclohexane-1,2-diamine?

The IUPAC name of 1-N-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-yl]-2-N-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclohexane-1,2-diamine (CID 78043428) is 1-N-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-yl]-2-N-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclohexane-1,2-diamine.

What is the SMILES notation for 1-N-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-yl]-2-N-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclohexane-1,2-diamine?

The canonical SMILES for 1-N-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-yl]-2-N-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclohexane-1,2-diamine is Cc1nnc(-c2ccc(N3CCCC(NC4CCCCC4Nc4cc(-c5cccc(OC(F)(F)F)c5)ccn4)C3)cc2)o1.

What is the InChIKey of 1-N-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-yl]-2-N-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclohexane-1,2-diamine?

The InChIKey is DSZYTKUCYQNASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F3N6O2/c1-21-39-40-31(42-21)22-11-13-26(14-12-22)41-17-5-7-25(20-41)37-28-9-2-3-10-29(28)38-30-19-24(15-16-36-30)23-6-4-8-27(18-23)43-32(33,34)35/h4,6,8,11-16,18-19,25,28-29,37H,2-3,5,7,9-10,17,20H2,1H3,(H,36,38).

What are the key properties of 1-N-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-yl]-2-N-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclohexane-1,2-diamine?

1-N-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-yl]-2-N-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclohexane-1,2-diamine has a molecular weight of 592.67 g/mol, XLogP of 6.99, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-yl]-2-N-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 78043428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).