3,5-bis(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide;tert-butyl (3R)-3-[[3,5-bis(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidine-1-carboxylate;hydrochloride

C51H85ClN4O12 — CID 158286555

About 3,5-bis(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide;tert-butyl (3R)-3-[[3,5-bis(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidine-1-carboxylate;hydrochloride

3,5-bis(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide;tert-butyl (3R)-3-[[3,5-bis(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidine-1-carboxylate;hydrochloride (PubChem CID 158286555) has the molecular formula C51H85ClN4O12 and a molecular weight of 981.71 g/mol. Its IUPAC name is 3,5-bis(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide;tert-butyl (3R)-3-[[3,5-bis(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidine-1-carboxylate;hydrochloride.

Molecular Properties

• Compound Name: 3,5-bis(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide;tert-butyl (3R)-3-[[3,5-bis(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidine-1-carboxylate;hydrochloride
• PubChem CID: 158286555
• Molecular Formula: C51H85ClN4O12
• Molecular Weight: 981.71 g/mol
• Exact Mass: 980.59
• IUPAC Name: 3,5-bis(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide;tert-butyl (3R)-3-[[3,5-bis(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidine-1-carboxylate;hydrochloride
• SMILES: COCCCOc1cc(OCCCOC)cc(C(=O)N(C(C)C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1.COCCCOc1cc(OCCCOC)cc(C(=O)N(C(C)C)[C@@H]2CCCNC2)c1.Cl
• InChI: InChI=1S/C28H46N2O7.C23H38N2O5.ClH/c1-21(2)30(23-11-8-12-29(20-23)27(32)37-28(3,4)5)26(31)22-17-24(35-15-9-13-33-6)19-25(18-22)36-16-10-14-34-7;1-18(2)25(20-8-5-9-24-17-20)23(26)19-14-21(29-12-6-10-27-3)16-22(15-19)30-13-7-11-28-4;/h17-19,21,23H,8-16,20H2,1-7H3;14-16,18,20,24H,5-13,17H2,1-4H3;1H/t23-;20-;/m11./s1
• InChIKey: MMJVLZXZGJDUQJ-FAAASRTMSA-N
• XLogP: 8.31
• TPSA: 156.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 26
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	981.71
LogP ≤ 5	8.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide;tert-butyl (3R)-3-[[3,5-bis(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidine-1-carboxylate;hydrochloride?

The IUPAC name of 3,5-bis(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide;tert-butyl (3R)-3-[[3,5-bis(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidine-1-carboxylate;hydrochloride (CID 158286555) is 3,5-bis(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide;tert-butyl (3R)-3-[[3,5-bis(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidine-1-carboxylate;hydrochloride.

What is the SMILES notation for 3,5-bis(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide;tert-butyl (3R)-3-[[3,5-bis(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidine-1-carboxylate;hydrochloride?

The canonical SMILES for 3,5-bis(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide;tert-butyl (3R)-3-[[3,5-bis(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidine-1-carboxylate;hydrochloride is COCCCOc1cc(OCCCOC)cc(C(=O)N(C(C)C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1.COCCCOc1cc(OCCCOC)cc(C(=O)N(C(C)C)[C@@H]2CCCNC2)c1.Cl.

What is the InChIKey of 3,5-bis(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide;tert-butyl (3R)-3-[[3,5-bis(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidine-1-carboxylate;hydrochloride?

The InChIKey is MMJVLZXZGJDUQJ-FAAASRTMSA-N. The full InChI is InChI=1S/C28H46N2O7.C23H38N2O5.ClH/c1-21(2)30(23-11-8-12-29(20-23)27(32)37-28(3,4)5)26(31)22-17-24(35-15-9-13-33-6)19-25(18-22)36-16-10-14-34-7;1-18(2)25(20-8-5-9-24-17-20)23(26)19-14-21(29-12-6-10-27-3)16-22(15-19)30-13-7-11-28-4;/h17-19,21,23H,8-16,20H2,1-7H3;14-16,18,20,24H,5-13,17H2,1-4H3;1H/t23-;20-;/m11./s1.

What are the key properties of 3,5-bis(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide;tert-butyl (3R)-3-[[3,5-bis(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidine-1-carboxylate;hydrochloride?

3,5-bis(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide;tert-butyl (3R)-3-[[3,5-bis(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidine-1-carboxylate;hydrochloride has a molecular weight of 981.71 g/mol, XLogP of 8.31, 26 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-bis(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide;tert-butyl (3R)-3-[[3,5-bis(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 158286555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).