N,N-diethyl-4-[(3R)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]sulfonylbenzamide

C26H38N6O5S — CID 162365383

About N,N-diethyl-4-[(3R)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]sulfonylbenzamide

N,N-diethyl-4-[(3R)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]sulfonylbenzamide (PubChem CID 162365383) has the molecular formula C26H38N6O5S and a molecular weight of 546.69 g/mol. Its IUPAC name is N,N-diethyl-4-[(3R)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]sulfonylbenzamide.

Molecular Properties

• Compound Name: N,N-diethyl-4-[(3R)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]sulfonylbenzamide
• PubChem CID: 162365383
• Molecular Formula: C26H38N6O5S
• Molecular Weight: 546.69 g/mol
• Exact Mass: 546.26
• IUPAC Name: N,N-diethyl-4-[(3R)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]sulfonylbenzamide
• SMILES: CCN(CC)C(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4nc(C(C)C)no4)CC3)C2)cc1
• InChI: InChI=1S/C26H38N6O5S/c1-5-29(6-2)24(33)20-9-11-22(12-10-20)38(35,36)32-13-7-8-21(18-32)25(34)30-14-16-31(17-15-30)26-27-23(19(3)4)28-37-26/h9-12,19,21H,5-8,13-18H2,1-4H3/t21-/m1/s1
• InChIKey: ZHSWOWIQGICERS-OAQYLSRUSA-N
• XLogP: 2.42
• TPSA: 120.16 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.69
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(3R)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]sulfonylbenzamide?

The IUPAC name of N,N-diethyl-4-[(3R)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]sulfonylbenzamide (CID 162365383) is N,N-diethyl-4-[(3R)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]sulfonylbenzamide.

What is the SMILES notation for N,N-diethyl-4-[(3R)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]sulfonylbenzamide?

The canonical SMILES for N,N-diethyl-4-[(3R)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]sulfonylbenzamide is CCN(CC)C(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4nc(C(C)C)no4)CC3)C2)cc1.

What is the InChIKey of N,N-diethyl-4-[(3R)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]sulfonylbenzamide?

The InChIKey is ZHSWOWIQGICERS-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H38N6O5S/c1-5-29(6-2)24(33)20-9-11-22(12-10-20)38(35,36)32-13-7-8-21(18-32)25(34)30-14-16-31(17-15-30)26-27-23(19(3)4)28-37-26/h9-12,19,21H,5-8,13-18H2,1-4H3/t21-/m1/s1.

What are the key properties of N,N-diethyl-4-[(3R)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]sulfonylbenzamide?

N,N-diethyl-4-[(3R)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]sulfonylbenzamide has a molecular weight of 546.69 g/mol, XLogP of 2.42, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethyl-4-[(3R)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 162365383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).