[(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone

C38H46N6O4 — CID 23589141

About [(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone

[(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone (PubChem CID 23589141) has the molecular formula C38H46N6O4 and a molecular weight of 650.82 g/mol. Its IUPAC name is [(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
• PubChem CID: 23589141
• Molecular Formula: C38H46N6O4
• Molecular Weight: 650.82 g/mol
• Exact Mass: 650.36
• IUPAC Name: [(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
• SMILES: O=C(c1cc(-c2ccccc2)nc(-c2ccccc2)c1)N1CCC(N2CCC[C@@H](C(=O)N3CCN(C(=O)N4CCOCC4)CC3)C2)CC1
• InChI: InChI=1S/C38H46N6O4/c45-36(41-18-20-42(21-19-41)38(47)43-22-24-48-25-23-43)31-12-7-15-44(28-31)33-13-16-40(17-14-33)37(46)32-26-34(29-8-3-1-4-9-29)39-35(27-32)30-10-5-2-6-11-30/h1-6,8-11,26-27,31,33H,7,12-25,28H2/t31-/m1/s1
• InChIKey: HETXJYBSXOVGGW-WJOKGBTCSA-N
• XLogP: 4.33
• TPSA: 89.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	650.82
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone?

The IUPAC name of [(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone (CID 23589141) is [(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone.

What is the SMILES notation for [(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone?

The canonical SMILES for [(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone is O=C(c1cc(-c2ccccc2)nc(-c2ccccc2)c1)N1CCC(N2CCC[C@@H](C(=O)N3CCN(C(=O)N4CCOCC4)CC3)C2)CC1.

What is the InChIKey of [(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone?

The InChIKey is HETXJYBSXOVGGW-WJOKGBTCSA-N. The full InChI is InChI=1S/C38H46N6O4/c45-36(41-18-20-42(21-19-41)38(47)43-22-24-48-25-23-43)31-12-7-15-44(28-31)33-13-16-40(17-14-33)37(46)32-26-34(29-8-3-1-4-9-29)39-35(27-32)30-10-5-2-6-11-30/h1-6,8-11,26-27,31,33H,7,12-25,28H2/t31-/m1/s1.

What are the key properties of [(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone?

[(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone has a molecular weight of 650.82 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 23589141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).