2-[2-(dihydroxyamino)oxyethoxy]ethyl 3-(2-hydroxybutoxy)-5-[(4-methoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine-1-carboxylate

C43H56N2O13 — CID 70299982

About 2-[2-(dihydroxyamino)oxyethoxy]ethyl 3-(2-hydroxybutoxy)-5-[(4-methoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine-1-carboxylate

2-[2-(dihydroxyamino)oxyethoxy]ethyl 3-(2-hydroxybutoxy)-5-[(4-methoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine-1-carboxylate (PubChem CID 70299982) has the molecular formula C43H56N2O13 and a molecular weight of 808.92 g/mol. Its IUPAC name is 2-[2-(dihydroxyamino)oxyethoxy]ethyl 3-(2-hydroxybutoxy)-5-[(4-methoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: 2-[2-(dihydroxyamino)oxyethoxy]ethyl 3-(2-hydroxybutoxy)-5-[(4-methoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine-1-carboxylate
• PubChem CID: 70299982
• Molecular Formula: C43H56N2O13
• Molecular Weight: 808.92 g/mol
• Exact Mass: 808.38
• IUPAC Name: 2-[2-(dihydroxyamino)oxyethoxy]ethyl 3-(2-hydroxybutoxy)-5-[(4-methoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine-1-carboxylate
• SMILES: CCC(O)COC1CN(C(=O)OCCOCCON(O)O)CC(OCc2cc(OC)c3ccccc3c2)C1c1ccc(OCCCOCc2ccccc2OC)cc1
• InChI: InChI=1S/C43H56N2O13/c1-4-35(46)30-57-41-27-44(43(47)55-22-20-52-21-23-58-45(48)49)26-40(56-28-31-24-33-10-5-7-12-37(33)39(25-31)51-3)42(41)32-14-16-36(17-15-32)54-19-9-18-53-29-34-11-6-8-13-38(34)50-2/h5-8,10-17,24-25,35,40-42,46,48-49H,4,9,18-23,26-30H2,1-3H3
• InChIKey: DPVZZZYAOINYDJ-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 167.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 24
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	808.92
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dihydroxyamino)oxyethoxy]ethyl 3-(2-hydroxybutoxy)-5-[(4-methoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine-1-carboxylate?

The IUPAC name of 2-[2-(dihydroxyamino)oxyethoxy]ethyl 3-(2-hydroxybutoxy)-5-[(4-methoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine-1-carboxylate (CID 70299982) is 2-[2-(dihydroxyamino)oxyethoxy]ethyl 3-(2-hydroxybutoxy)-5-[(4-methoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine-1-carboxylate.

What is the SMILES notation for 2-[2-(dihydroxyamino)oxyethoxy]ethyl 3-(2-hydroxybutoxy)-5-[(4-methoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine-1-carboxylate?

The canonical SMILES for 2-[2-(dihydroxyamino)oxyethoxy]ethyl 3-(2-hydroxybutoxy)-5-[(4-methoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine-1-carboxylate is CCC(O)COC1CN(C(=O)OCCOCCON(O)O)CC(OCc2cc(OC)c3ccccc3c2)C1c1ccc(OCCCOCc2ccccc2OC)cc1.

What is the InChIKey of 2-[2-(dihydroxyamino)oxyethoxy]ethyl 3-(2-hydroxybutoxy)-5-[(4-methoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine-1-carboxylate?

The InChIKey is DPVZZZYAOINYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H56N2O13/c1-4-35(46)30-57-41-27-44(43(47)55-22-20-52-21-23-58-45(48)49)26-40(56-28-31-24-33-10-5-7-12-37(33)39(25-31)51-3)42(41)32-14-16-36(17-15-32)54-19-9-18-53-29-34-11-6-8-13-38(34)50-2/h5-8,10-17,24-25,35,40-42,46,48-49H,4,9,18-23,26-30H2,1-3H3.

What are the key properties of 2-[2-(dihydroxyamino)oxyethoxy]ethyl 3-(2-hydroxybutoxy)-5-[(4-methoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine-1-carboxylate?

2-[2-(dihydroxyamino)oxyethoxy]ethyl 3-(2-hydroxybutoxy)-5-[(4-methoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine-1-carboxylate has a molecular weight of 808.92 g/mol, XLogP of 6.15, 24 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(dihydroxyamino)oxyethoxy]ethyl 3-(2-hydroxybutoxy)-5-[(4-methoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine-1-carboxylate is sourced from PubChem (CID 70299982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).