[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] morpholine-4-carboxylate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-(2-hydroxyphenyl)methanone;morpholine-4-carbonyl chloride

C60H69ClN8O10 — CID 167573239

About [2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] morpholine-4-carboxylate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-(2-hydroxyphenyl)methanone;morpholine-4-carbonyl chloride

[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] morpholine-4-carboxylate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-(2-hydroxyphenyl)methanone;morpholine-4-carbonyl chloride (PubChem CID 167573239) has the molecular formula C60H69ClN8O10 and a molecular weight of 1097.71 g/mol. Its IUPAC name is [2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] morpholine-4-carboxylate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-(2-hydroxyphenyl)methanone;morpholine-4-carbonyl chloride.

Molecular Properties

• Compound Name: [2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] morpholine-4-carboxylate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-(2-hydroxyphenyl)methanone;morpholine-4-carbonyl chloride
• PubChem CID: 167573239
• Molecular Formula: C60H69ClN8O10
• Molecular Weight: 1097.71 g/mol
• Exact Mass: 1096.48
• IUPAC Name: [2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] morpholine-4-carboxylate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-(2-hydroxyphenyl)methanone;morpholine-4-carbonyl chloride
• SMILES: CN(C)c1ccc(-c2ccc(OC3CCN(C(=O)c4ccccc4O)CC3)nc2)cc1.CN(C)c1ccc(-c2ccc(OC3CCN(C(=O)c4ccccc4OC(=O)N4CCOCC4)CC3)nc2)cc1.O=C(Cl)N1CCOCC1
• InChI: InChI=1S/C30H34N4O5.C25H27N3O3.C5H8ClNO2/c1-32(2)24-10-7-22(8-11-24)23-9-12-28(31-21-23)38-25-13-15-33(16-14-25)29(35)26-5-3-4-6-27(26)39-30(36)34-17-19-37-20-18-34;1-27(2)20-10-7-18(8-11-20)19-9-12-24(26-17-19)31-21-13-15-28(16-14-21)25(30)22-5-3-4-6-23(22)29;6-5(8)7-1-3-9-4-2-7/h3-12,21,25H,13-20H2,1-2H3;3-12,17,21,29H,13-16H2,1-2H3;1-4H2
• InChIKey: GEODYCWAGZYVIO-UHFFFAOYSA-N
• XLogP: 9.21
• TPSA: 179.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1097.71
LogP ≤ 5	9.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] morpholine-4-carboxylate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-(2-hydroxyphenyl)methanone;morpholine-4-carbonyl chloride?

The IUPAC name of [2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] morpholine-4-carboxylate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-(2-hydroxyphenyl)methanone;morpholine-4-carbonyl chloride (CID 167573239) is [2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] morpholine-4-carboxylate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-(2-hydroxyphenyl)methanone;morpholine-4-carbonyl chloride.

What is the SMILES notation for [2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] morpholine-4-carboxylate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-(2-hydroxyphenyl)methanone;morpholine-4-carbonyl chloride?

The canonical SMILES for [2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] morpholine-4-carboxylate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-(2-hydroxyphenyl)methanone;morpholine-4-carbonyl chloride is CN(C)c1ccc(-c2ccc(OC3CCN(C(=O)c4ccccc4O)CC3)nc2)cc1.CN(C)c1ccc(-c2ccc(OC3CCN(C(=O)c4ccccc4OC(=O)N4CCOCC4)CC3)nc2)cc1.O=C(Cl)N1CCOCC1.

What is the InChIKey of [2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] morpholine-4-carboxylate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-(2-hydroxyphenyl)methanone;morpholine-4-carbonyl chloride?

The InChIKey is GEODYCWAGZYVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O5.C25H27N3O3.C5H8ClNO2/c1-32(2)24-10-7-22(8-11-24)23-9-12-28(31-21-23)38-25-13-15-33(16-14-25)29(35)26-5-3-4-6-27(26)39-30(36)34-17-19-37-20-18-34;1-27(2)20-10-7-18(8-11-20)19-9-12-24(26-17-19)31-21-13-15-28(16-14-21)25(30)22-5-3-4-6-23(22)29;6-5(8)7-1-3-9-4-2-7/h3-12,21,25H,13-20H2,1-2H3;3-12,17,21,29H,13-16H2,1-2H3;1-4H2.

What are the key properties of [2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] morpholine-4-carboxylate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-(2-hydroxyphenyl)methanone;morpholine-4-carbonyl chloride?

[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] morpholine-4-carboxylate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-(2-hydroxyphenyl)methanone;morpholine-4-carbonyl chloride has a molecular weight of 1097.71 g/mol, XLogP of 9.21, 11 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] morpholine-4-carboxylate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-(2-hydroxyphenyl)methanone;morpholine-4-carbonyl chloride is sourced from PubChem (CID 167573239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).