4-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxybutyl)benzene-1,4-dicarboxamide;4-N-[8-[5-(benzylcarbamoyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-(4-methoxybutyl)benzene-1,4-dicarboxamide;N-benzyl-6-chloropyridine-3-carboxamide;tert-butyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[[4-carbamoyl-3-(4-methoxybutyl)benzoyl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate;4-carbamoyl-3-(4-methoxybutyl)benzoic acid;N-ethyl-N-propan-2-ylpropan-2-amine;hydrochloride

C136H194Cl2N18O22 — CID 160583775

About 4-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxybutyl)benzene-1,4-dicarboxamide;4-N-[8-[5-(benzylcarbamoyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-(4-methoxybutyl)benzene-1,4-dicarboxamide;N-benzyl-6-chloropyridine-3-carboxamide;tert-butyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[[4-carbamoyl-3-(4-methoxybutyl)benzoyl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate;4-carbamoyl-3-(4-methoxybutyl)benzoic acid;N-ethyl-N-propan-2-ylpropan-2-amine;hydrochloride

4-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxybutyl)benzene-1,4-dicarboxamide;4-N-[8-[5-(benzylcarbamoyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-(4-methoxybutyl)benzene-1,4-dicarboxamide;N-benzyl-6-chloropyridine-3-carboxamide;tert-butyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[[4-carbamoyl-3-(4-methoxybutyl)benzoyl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate;4-carbamoyl-3-(4-methoxybutyl)benzoic acid;N-ethyl-N-propan-2-ylpropan-2-amine;hydrochloride (PubChem CID 160583775) has the molecular formula C136H194Cl2N18O22 and a molecular weight of 2504.06 g/mol. Its IUPAC name is 4-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxybutyl)benzene-1,4-dicarboxamide;4-N-[8-[5-(benzylcarbamoyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-(4-methoxybutyl)benzene-1,4-dicarboxamide;N-benzyl-6-chloropyridine-3-carboxamide;tert-butyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[[4-carbamoyl-3-(4-methoxybutyl)benzoyl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate;4-carbamoyl-3-(4-methoxybutyl)benzoic acid;N-ethyl-N-propan-2-ylpropan-2-amine;hydrochloride.

Molecular Properties

• Compound Name: 4-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxybutyl)benzene-1,4-dicarboxamide;4-N-[8-[5-(benzylcarbamoyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-(4-methoxybutyl)benzene-1,4-dicarboxamide;N-benzyl-6-chloropyridine-3-carboxamide;tert-butyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[[4-carbamoyl-3-(4-methoxybutyl)benzoyl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate;4-carbamoyl-3-(4-methoxybutyl)benzoic acid;N-ethyl-N-propan-2-ylpropan-2-amine;hydrochloride
• PubChem CID: 160583775
• Molecular Formula: C136H194Cl2N18O22
• Molecular Weight: 2504.06 g/mol
• Exact Mass: 2501.40
• IUPAC Name: 4-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxybutyl)benzene-1,4-dicarboxamide;4-N-[8-[5-(benzylcarbamoyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-(4-methoxybutyl)benzene-1,4-dicarboxamide;N-benzyl-6-chloropyridine-3-carboxamide;tert-butyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[[4-carbamoyl-3-(4-methoxybutyl)benzoyl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate;4-carbamoyl-3-(4-methoxybutyl)benzoic acid;N-ethyl-N-propan-2-ylpropan-2-amine;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1C2CCC1CC(=O)C2.CC(C)(C)OC(=O)N1C2CCC1CC(N)C2.CCN(C(C)C)C(C)C.COCCCCc1cc(C(=O)NC2CC3CCC(C2)N3)ccc1C(N)=O.COCCCCc1cc(C(=O)NC2CC3CCC(C2)N3C(=O)OC(C)(C)C)ccc1C(N)=O.COCCCCc1cc(C(=O)NC2CC3CCC(C2)N3c2ccc(C(=O)NCc3ccccc3)cn2)ccc1C(N)=O.COCCCCc1cc(C(=O)O)ccc1C(N)=O.Cl.O=C(NCc1ccccc1)c1ccc(Cl)nc1
• InChI: InChI=1S/C33H39N5O4.C25H37N3O5.C20H29N3O3.C13H11ClN2O.C13H17NO4.C12H22N2O2.C12H19NO3.C8H19N.ClH/c1-42-16-6-5-9-23-17-24(10-14-29(23)31(34)39)33(41)37-26-18-27-12-13-28(19-26)38(27)30-15-11-25(21-35-30)32(40)36-20-22-7-3-2-4-8-22;1-25(2,3)33-24(31)28-19-9-10-20(28)15-18(14-19)27-23(30)17-8-11-21(22(26)29)16(13-17)7-5-6-12-32-4;1-26-9-3-2-4-13-10-14(5-8-18(13)19(21)24)20(25)23-17-11-15-6-7-16(12-17)22-15;14-12-7-6-11(9-15-12)13(17)16-8-10-4-2-1-3-5-10;1-18-7-3-2-4-9-8-10(13(16)17)5-6-11(9)12(14)15;1-12(2,3)16-11(15)14-9-4-5-10(14)7-8(13)6-9;1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8;1-6-9(7(2)3)8(4)5;/h2-4,7-8,10-11,14-15,17,21,26-28H,5-6,9,12-13,16,18-20H2,1H3,(H2,34,39)(H,36,40)(H,37,41);8,11,13,18-20H,5-7,9-10,12,14-15H2,1-4H3,(H2,26,29)(H,27,30);5,8,10,15-17,22H,2-4,6-7,9,11-12H2,1H3,(H2,21,24)(H,23,25);1-7,9H,8H2,(H,16,17);5-6,8H,2-4,7H2,1H3,(H2,14,15)(H,16,17);8-10H,4-7,13H2,1-3H3;8-9H,4-7H2,1-3H3;7-8H,6H2,1-5H3;1H
• InChIKey: MKPMVLIBLLZBRX-UHFFFAOYSA-N
• XLogP: 19.85
• TPSA: 568.08 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 27
• Rotatable Bonds: 41
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2504.06
LogP ≤ 5	19.85
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxybutyl)benzene-1,4-dicarboxamide;4-N-[8-[5-(benzylcarbamoyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-(4-methoxybutyl)benzene-1,4-dicarboxamide;N-benzyl-6-chloropyridine-3-carboxamide;tert-butyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[[4-carbamoyl-3-(4-methoxybutyl)benzoyl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate;4-carbamoyl-3-(4-methoxybutyl)benzoic acid;N-ethyl-N-propan-2-ylpropan-2-amine;hydrochloride?

The IUPAC name of 4-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxybutyl)benzene-1,4-dicarboxamide;4-N-[8-[5-(benzylcarbamoyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-(4-methoxybutyl)benzene-1,4-dicarboxamide;N-benzyl-6-chloropyridine-3-carboxamide;tert-butyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[[4-carbamoyl-3-(4-methoxybutyl)benzoyl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate;4-carbamoyl-3-(4-methoxybutyl)benzoic acid;N-ethyl-N-propan-2-ylpropan-2-amine;hydrochloride (CID 160583775) is 4-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxybutyl)benzene-1,4-dicarboxamide;4-N-[8-[5-(benzylcarbamoyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-(4-methoxybutyl)benzene-1,4-dicarboxamide;N-benzyl-6-chloropyridine-3-carboxamide;tert-butyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[[4-carbamoyl-3-(4-methoxybutyl)benzoyl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate;4-carbamoyl-3-(4-methoxybutyl)benzoic acid;N-ethyl-N-propan-2-ylpropan-2-amine;hydrochloride.

What is the SMILES notation for 4-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxybutyl)benzene-1,4-dicarboxamide;4-N-[8-[5-(benzylcarbamoyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-(4-methoxybutyl)benzene-1,4-dicarboxamide;N-benzyl-6-chloropyridine-3-carboxamide;tert-butyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[[4-carbamoyl-3-(4-methoxybutyl)benzoyl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate;4-carbamoyl-3-(4-methoxybutyl)benzoic acid;N-ethyl-N-propan-2-ylpropan-2-amine;hydrochloride?

The canonical SMILES for 4-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxybutyl)benzene-1,4-dicarboxamide;4-N-[8-[5-(benzylcarbamoyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-(4-methoxybutyl)benzene-1,4-dicarboxamide;N-benzyl-6-chloropyridine-3-carboxamide;tert-butyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[[4-carbamoyl-3-(4-methoxybutyl)benzoyl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate;4-carbamoyl-3-(4-methoxybutyl)benzoic acid;N-ethyl-N-propan-2-ylpropan-2-amine;hydrochloride is CC(C)(C)OC(=O)N1C2CCC1CC(=O)C2.CC(C)(C)OC(=O)N1C2CCC1CC(N)C2.CCN(C(C)C)C(C)C.COCCCCc1cc(C(=O)NC2CC3CCC(C2)N3)ccc1C(N)=O.COCCCCc1cc(C(=O)NC2CC3CCC(C2)N3C(=O)OC(C)(C)C)ccc1C(N)=O.COCCCCc1cc(C(=O)NC2CC3CCC(C2)N3c2ccc(C(=O)NCc3ccccc3)cn2)ccc1C(N)=O.COCCCCc1cc(C(=O)O)ccc1C(N)=O.Cl.O=C(NCc1ccccc1)c1ccc(Cl)nc1.

What is the InChIKey of 4-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxybutyl)benzene-1,4-dicarboxamide;4-N-[8-[5-(benzylcarbamoyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-(4-methoxybutyl)benzene-1,4-dicarboxamide;N-benzyl-6-chloropyridine-3-carboxamide;tert-butyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[[4-carbamoyl-3-(4-methoxybutyl)benzoyl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate;4-carbamoyl-3-(4-methoxybutyl)benzoic acid;N-ethyl-N-propan-2-ylpropan-2-amine;hydrochloride?

The InChIKey is MKPMVLIBLLZBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N5O4.C25H37N3O5.C20H29N3O3.C13H11ClN2O.C13H17NO4.C12H22N2O2.C12H19NO3.C8H19N.ClH/c1-42-16-6-5-9-23-17-24(10-14-29(23)31(34)39)33(41)37-26-18-27-12-13-28(19-26)38(27)30-15-11-25(21-35-30)32(40)36-20-22-7-3-2-4-8-22;1-25(2,3)33-24(31)28-19-9-10-20(28)15-18(14-19)27-23(30)17-8-11-21(22(26)29)16(13-17)7-5-6-12-32-4;1-26-9-3-2-4-13-10-14(5-8-18(13)19(21)24)20(25)23-17-11-15-6-7-16(12-17)22-15;14-12-7-6-11(9-15-12)13(17)16-8-10-4-2-1-3-5-10;1-18-7-3-2-4-9-8-10(13(16)17)5-6-11(9)12(14)15;1-12(2,3)16-11(15)14-9-4-5-10(14)7-8(13)6-9;1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8;1-6-9(7(2)3)8(4)5;/h2-4,7-8,10-11,14-15,17,21,26-28H,5-6,9,12-13,16,18-20H2,1H3,(H2,34,39)(H,36,40)(H,37,41);8,11,13,18-20H,5-7,9-10,12,14-15H2,1-4H3,(H2,26,29)(H,27,30);5,8,10,15-17,22H,2-4,6-7,9,11-12H2,1H3,(H2,21,24)(H,23,25);1-7,9H,8H2,(H,16,17);5-6,8H,2-4,7H2,1H3,(H2,14,15)(H,16,17);8-10H,4-7,13H2,1-3H3;8-9H,4-7H2,1-3H3;7-8H,6H2,1-5H3;1H.

What are the key properties of 4-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxybutyl)benzene-1,4-dicarboxamide;4-N-[8-[5-(benzylcarbamoyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-(4-methoxybutyl)benzene-1,4-dicarboxamide;N-benzyl-6-chloropyridine-3-carboxamide;tert-butyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[[4-carbamoyl-3-(4-methoxybutyl)benzoyl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate;4-carbamoyl-3-(4-methoxybutyl)benzoic acid;N-ethyl-N-propan-2-ylpropan-2-amine;hydrochloride?

4-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxybutyl)benzene-1,4-dicarboxamide;4-N-[8-[5-(benzylcarbamoyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-(4-methoxybutyl)benzene-1,4-dicarboxamide;N-benzyl-6-chloropyridine-3-carboxamide;tert-butyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[[4-carbamoyl-3-(4-methoxybutyl)benzoyl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate;4-carbamoyl-3-(4-methoxybutyl)benzoic acid;N-ethyl-N-propan-2-ylpropan-2-amine;hydrochloride has a molecular weight of 2504.06 g/mol, XLogP of 19.85, 41 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxybutyl)benzene-1,4-dicarboxamide;4-N-[8-[5-(benzylcarbamoyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-(4-methoxybutyl)benzene-1,4-dicarboxamide;N-benzyl-6-chloropyridine-3-carboxamide;tert-butyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[[4-carbamoyl-3-(4-methoxybutyl)benzoyl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate;4-carbamoyl-3-(4-methoxybutyl)benzoic acid;N-ethyl-N-propan-2-ylpropan-2-amine;hydrochloride is sourced from PubChem (CID 160583775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).