sodium;N-(2-aminophenyl)-4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzamide;benzyl N-(2-aminophenyl)carbamate;benzyl N-[2-[[4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoyl]amino]phenyl]carbamate;bromomethylcyclopropane;tert-butyl 4-(4-methoxycarbonylphenoxy)-2,2-dimethylpiperidine-1-carboxylate;4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoic acid;methyl 4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoate;methyl 4-(2,2-dimethylpiperidin-4-yl)oxybenzoate;hydroxide;hydrochloride

C146H193BrClN12NaO23 — CID 160962761

About sodium;N-(2-aminophenyl)-4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzamide;benzyl N-(2-aminophenyl)carbamate;benzyl N-[2-[[4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoyl]amino]phenyl]carbamate;bromomethylcyclopropane;tert-butyl 4-(4-methoxycarbonylphenoxy)-2,2-dimethylpiperidine-1-carboxylate;4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoic acid;methyl 4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoate;methyl 4-(2,2-dimethylpiperidin-4-yl)oxybenzoate;hydroxide;hydrochloride

sodium;N-(2-aminophenyl)-4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzamide;benzyl N-(2-aminophenyl)carbamate;benzyl N-[2-[[4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoyl]amino]phenyl]carbamate;bromomethylcyclopropane;tert-butyl 4-(4-methoxycarbonylphenoxy)-2,2-dimethylpiperidine-1-carboxylate;4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoic acid;methyl 4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoate;methyl 4-(2,2-dimethylpiperidin-4-yl)oxybenzoate;hydroxide;hydrochloride (PubChem CID 160962761) has the molecular formula C146H193BrClN12NaO23 and a molecular weight of 2622.56 g/mol. Its IUPAC name is sodium;N-(2-aminophenyl)-4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzamide;benzyl N-(2-aminophenyl)carbamate;benzyl N-[2-[[4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoyl]amino]phenyl]carbamate;bromomethylcyclopropane;tert-butyl 4-(4-methoxycarbonylphenoxy)-2,2-dimethylpiperidine-1-carboxylate;4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoic acid;methyl 4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoate;methyl 4-(2,2-dimethylpiperidin-4-yl)oxybenzoate;hydroxide;hydrochloride.

Molecular Properties

• Compound Name: sodium;N-(2-aminophenyl)-4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzamide;benzyl N-(2-aminophenyl)carbamate;benzyl N-[2-[[4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoyl]amino]phenyl]carbamate;bromomethylcyclopropane;tert-butyl 4-(4-methoxycarbonylphenoxy)-2,2-dimethylpiperidine-1-carboxylate;4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoic acid;methyl 4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoate;methyl 4-(2,2-dimethylpiperidin-4-yl)oxybenzoate;hydroxide;hydrochloride
• PubChem CID: 160962761
• Molecular Formula: C146H193BrClN12NaO23
• Molecular Weight: 2622.56 g/mol
• Exact Mass: 2619.31
• IUPAC Name: sodium;N-(2-aminophenyl)-4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzamide;benzyl N-(2-aminophenyl)carbamate;benzyl N-[2-[[4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoyl]amino]phenyl]carbamate;bromomethylcyclopropane;tert-butyl 4-(4-methoxycarbonylphenoxy)-2,2-dimethylpiperidine-1-carboxylate;4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoic acid;methyl 4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoate;methyl 4-(2,2-dimethylpiperidin-4-yl)oxybenzoate;hydroxide;hydrochloride
• SMILES: BrCC1CC1.CC1(C)CC(Oc2ccc(C(=O)Nc3ccccc3N)cc2)CCN1CC1CC1.CC1(C)CC(Oc2ccc(C(=O)Nc3ccccc3NC(=O)OCc3ccccc3)cc2)CCN1CC1CC1.CC1(C)CC(Oc2ccc(C(=O)O)cc2)CCN1CC1CC1.COC(=O)c1ccc(OC2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)cc1.COC(=O)c1ccc(OC2CCN(CC3CC3)C(C)(C)C2)cc1.COC(=O)c1ccc(OC2CCNC(C)(C)C2)cc1.Cl.Nc1ccccc1NC(=O)OCc1ccccc1.[Na+].[OH-]
• InChI: InChI=1S/C32H37N3O4.C24H31N3O2.C20H29NO5.C19H27NO3.C18H25NO3.C15H21NO3.C14H14N2O2.C4H7Br.ClH.Na.H2O/c1-32(2)20-27(18-19-35(32)21-23-12-13-23)39-26-16-14-25(15-17-26)30(36)33-28-10-6-7-11-29(28)34-31(37)38-22-24-8-4-3-5-9-24;1-24(2)15-20(13-14-27(24)16-17-7-8-17)29-19-11-9-18(10-12-19)23(28)26-22-6-4-3-5-21(22)25;1-19(2,3)26-18(23)21-12-11-16(13-20(21,4)5)25-15-9-7-14(8-10-15)17(22)24-6;1-19(2)12-17(10-11-20(19)13-14-4-5-14)23-16-8-6-15(7-9-16)18(21)22-3;1-18(2)11-16(9-10-19(18)12-13-3-4-13)22-15-7-5-14(6-8-15)17(20)21;1-15(2)10-13(8-9-16-15)19-12-6-4-11(5-7-12)14(17)18-3;15-12-8-4-5-9-13(12)16-14(17)18-10-11-6-2-1-3-7-11;5-3-4-1-2-4;;;/h3-11,14-17,23,27H,12-13,18-22H2,1-2H3,(H,33,36)(H,34,37);3-6,9-12,17,20H,7-8,13-16,25H2,1-2H3,(H,26,28);7-10,16H,11-13H2,1-6H3;6-9,14,17H,4-5,10-13H2,1-3H3;5-8,13,16H,3-4,9-12H2,1-2H3,(H,20,21);4-7,13,16H,8-10H2,1-3H3;1-9H,10,15H2,(H,16,17);4H,1-3H2;1H;;1H2/q;;;;;;;;;+1;/p-1
• InChIKey: JMASWHPZZLTEQL-UHFFFAOYSA-M
• XLogP: 26.66
• TPSA: 443.01 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 35
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2622.56
LogP ≤ 5	26.66
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;N-(2-aminophenyl)-4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzamide;benzyl N-(2-aminophenyl)carbamate;benzyl N-[2-[[4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoyl]amino]phenyl]carbamate;bromomethylcyclopropane;tert-butyl 4-(4-methoxycarbonylphenoxy)-2,2-dimethylpiperidine-1-carboxylate;4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoic acid;methyl 4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoate;methyl 4-(2,2-dimethylpiperidin-4-yl)oxybenzoate;hydroxide;hydrochloride?

The IUPAC name of sodium;N-(2-aminophenyl)-4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzamide;benzyl N-(2-aminophenyl)carbamate;benzyl N-[2-[[4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoyl]amino]phenyl]carbamate;bromomethylcyclopropane;tert-butyl 4-(4-methoxycarbonylphenoxy)-2,2-dimethylpiperidine-1-carboxylate;4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoic acid;methyl 4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoate;methyl 4-(2,2-dimethylpiperidin-4-yl)oxybenzoate;hydroxide;hydrochloride (CID 160962761) is sodium;N-(2-aminophenyl)-4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzamide;benzyl N-(2-aminophenyl)carbamate;benzyl N-[2-[[4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoyl]amino]phenyl]carbamate;bromomethylcyclopropane;tert-butyl 4-(4-methoxycarbonylphenoxy)-2,2-dimethylpiperidine-1-carboxylate;4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoic acid;methyl 4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoate;methyl 4-(2,2-dimethylpiperidin-4-yl)oxybenzoate;hydroxide;hydrochloride.

What is the SMILES notation for sodium;N-(2-aminophenyl)-4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzamide;benzyl N-(2-aminophenyl)carbamate;benzyl N-[2-[[4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoyl]amino]phenyl]carbamate;bromomethylcyclopropane;tert-butyl 4-(4-methoxycarbonylphenoxy)-2,2-dimethylpiperidine-1-carboxylate;4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoic acid;methyl 4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoate;methyl 4-(2,2-dimethylpiperidin-4-yl)oxybenzoate;hydroxide;hydrochloride?

The canonical SMILES for sodium;N-(2-aminophenyl)-4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzamide;benzyl N-(2-aminophenyl)carbamate;benzyl N-[2-[[4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoyl]amino]phenyl]carbamate;bromomethylcyclopropane;tert-butyl 4-(4-methoxycarbonylphenoxy)-2,2-dimethylpiperidine-1-carboxylate;4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoic acid;methyl 4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoate;methyl 4-(2,2-dimethylpiperidin-4-yl)oxybenzoate;hydroxide;hydrochloride is BrCC1CC1.CC1(C)CC(Oc2ccc(C(=O)Nc3ccccc3N)cc2)CCN1CC1CC1.CC1(C)CC(Oc2ccc(C(=O)Nc3ccccc3NC(=O)OCc3ccccc3)cc2)CCN1CC1CC1.CC1(C)CC(Oc2ccc(C(=O)O)cc2)CCN1CC1CC1.COC(=O)c1ccc(OC2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)cc1.COC(=O)c1ccc(OC2CCN(CC3CC3)C(C)(C)C2)cc1.COC(=O)c1ccc(OC2CCNC(C)(C)C2)cc1.Cl.Nc1ccccc1NC(=O)OCc1ccccc1.[Na+].[OH-].

What is the InChIKey of sodium;N-(2-aminophenyl)-4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzamide;benzyl N-(2-aminophenyl)carbamate;benzyl N-[2-[[4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoyl]amino]phenyl]carbamate;bromomethylcyclopropane;tert-butyl 4-(4-methoxycarbonylphenoxy)-2,2-dimethylpiperidine-1-carboxylate;4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoic acid;methyl 4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoate;methyl 4-(2,2-dimethylpiperidin-4-yl)oxybenzoate;hydroxide;hydrochloride?

The InChIKey is JMASWHPZZLTEQL-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H37N3O4.C24H31N3O2.C20H29NO5.C19H27NO3.C18H25NO3.C15H21NO3.C14H14N2O2.C4H7Br.ClH.Na.H2O/c1-32(2)20-27(18-19-35(32)21-23-12-13-23)39-26-16-14-25(15-17-26)30(36)33-28-10-6-7-11-29(28)34-31(37)38-22-24-8-4-3-5-9-24;1-24(2)15-20(13-14-27(24)16-17-7-8-17)29-19-11-9-18(10-12-19)23(28)26-22-6-4-3-5-21(22)25;1-19(2,3)26-18(23)21-12-11-16(13-20(21,4)5)25-15-9-7-14(8-10-15)17(22)24-6;1-19(2)12-17(10-11-20(19)13-14-4-5-14)23-16-8-6-15(7-9-16)18(21)22-3;1-18(2)11-16(9-10-19(18)12-13-3-4-13)22-15-7-5-14(6-8-15)17(20)21;1-15(2)10-13(8-9-16-15)19-12-6-4-11(5-7-12)14(17)18-3;15-12-8-4-5-9-13(12)16-14(17)18-10-11-6-2-1-3-7-11;5-3-4-1-2-4;;;/h3-11,14-17,23,27H,12-13,18-22H2,1-2H3,(H,33,36)(H,34,37);3-6,9-12,17,20H,7-8,13-16,25H2,1-2H3,(H,26,28);7-10,16H,11-13H2,1-6H3;6-9,14,17H,4-5,10-13H2,1-3H3;5-8,13,16H,3-4,9-12H2,1-2H3,(H,20,21);4-7,13,16H,8-10H2,1-3H3;1-9H,10,15H2,(H,16,17);4H,1-3H2;1H;;1H2/q;;;;;;;;;+1;/p-1.

What are the key properties of sodium;N-(2-aminophenyl)-4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzamide;benzyl N-(2-aminophenyl)carbamate;benzyl N-[2-[[4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoyl]amino]phenyl]carbamate;bromomethylcyclopropane;tert-butyl 4-(4-methoxycarbonylphenoxy)-2,2-dimethylpiperidine-1-carboxylate;4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoic acid;methyl 4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoate;methyl 4-(2,2-dimethylpiperidin-4-yl)oxybenzoate;hydroxide;hydrochloride?

sodium;N-(2-aminophenyl)-4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzamide;benzyl N-(2-aminophenyl)carbamate;benzyl N-[2-[[4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoyl]amino]phenyl]carbamate;bromomethylcyclopropane;tert-butyl 4-(4-methoxycarbonylphenoxy)-2,2-dimethylpiperidine-1-carboxylate;4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoic acid;methyl 4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoate;methyl 4-(2,2-dimethylpiperidin-4-yl)oxybenzoate;hydroxide;hydrochloride has a molecular weight of 2622.56 g/mol, XLogP of 26.66, 35 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;N-(2-aminophenyl)-4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzamide;benzyl N-(2-aminophenyl)carbamate;benzyl N-[2-[[4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoyl]amino]phenyl]carbamate;bromomethylcyclopropane;tert-butyl 4-(4-methoxycarbonylphenoxy)-2,2-dimethylpiperidine-1-carboxylate;4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoic acid;methyl 4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoate;methyl 4-(2,2-dimethylpiperidin-4-yl)oxybenzoate;hydroxide;hydrochloride is sourced from PubChem (CID 160962761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).