2-[2-[[2-(2-cyanopiperidin-1-yl)-2-oxoethyl]amino]ethyl]-N,N-dimethyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)tricyclo[9.5.0.03,8]hexadeca-1(11),3(8),4,6,12-pentaene-6-carboxamide;N,N-dimethylethenamine;ethane;2-methylpropane

C42H65N7O3 — CID 143319040

About 2-[2-[[2-(2-cyanopiperidin-1-yl)-2-oxoethyl]amino]ethyl]-N,N-dimethyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)tricyclo[9.5.0.03,8]hexadeca-1(11),3(8),4,6,12-pentaene-6-carboxamide;N,N-dimethylethenamine;ethane;2-methylpropane

2-[2-[[2-(2-cyanopiperidin-1-yl)-2-oxoethyl]amino]ethyl]-N,N-dimethyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)tricyclo[9.5.0.03,8]hexadeca-1(11),3(8),4,6,12-pentaene-6-carboxamide;N,N-dimethylethenamine;ethane;2-methylpropane (PubChem CID 143319040) has the molecular formula C42H65N7O3 and a molecular weight of 716.03 g/mol. Its IUPAC name is 2-[2-[[2-(2-cyanopiperidin-1-yl)-2-oxoethyl]amino]ethyl]-N,N-dimethyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)tricyclo[9.5.0.03,8]hexadeca-1(11),3(8),4,6,12-pentaene-6-carboxamide;N,N-dimethylethenamine;ethane;2-methylpropane.

Molecular Properties

• Compound Name: 2-[2-[[2-(2-cyanopiperidin-1-yl)-2-oxoethyl]amino]ethyl]-N,N-dimethyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)tricyclo[9.5.0.03,8]hexadeca-1(11),3(8),4,6,12-pentaene-6-carboxamide;N,N-dimethylethenamine;ethane;2-methylpropane
• PubChem CID: 143319040
• Molecular Formula: C42H65N7O3
• Molecular Weight: 716.03 g/mol
• Exact Mass: 715.51
• IUPAC Name: 2-[2-[[2-(2-cyanopiperidin-1-yl)-2-oxoethyl]amino]ethyl]-N,N-dimethyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)tricyclo[9.5.0.03,8]hexadeca-1(11),3(8),4,6,12-pentaene-6-carboxamide;N,N-dimethylethenamine;ethane;2-methylpropane
• SMILES: C=CN(C)C.CC.CC(C)C.Cc1nnc(C2(CCNCC(=O)N3CCCCC3C#N)C3=C(C=CCCC3)CCc3cc(C(=O)N(C)C)ccc32)o1
• InChI: InChI=1S/C32H40N6O3.C4H9N.C4H10.C2H6/c1-22-35-36-31(41-22)32(16-17-34-21-29(39)38-18-8-7-10-26(38)20-33)27-11-6-4-5-9-23(27)12-13-24-19-25(14-15-28(24)32)30(40)37(2)3;1-4-5(2)3;1-4(2)3;1-2/h5,9,14-15,19,26,34H,4,6-8,10-13,16-18,21H2,1-3H3;4H,1H2,2-3H3;4H,1-3H3;1-2H3
• InChIKey: LIHZVOHEWBVNCJ-UHFFFAOYSA-N
• XLogP: 7.61
• TPSA: 118.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	716.03
LogP ≤ 5	7.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(2-cyanopiperidin-1-yl)-2-oxoethyl]amino]ethyl]-N,N-dimethyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)tricyclo[9.5.0.03,8]hexadeca-1(11),3(8),4,6,12-pentaene-6-carboxamide;N,N-dimethylethenamine;ethane;2-methylpropane?

The IUPAC name of 2-[2-[[2-(2-cyanopiperidin-1-yl)-2-oxoethyl]amino]ethyl]-N,N-dimethyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)tricyclo[9.5.0.03,8]hexadeca-1(11),3(8),4,6,12-pentaene-6-carboxamide;N,N-dimethylethenamine;ethane;2-methylpropane (CID 143319040) is 2-[2-[[2-(2-cyanopiperidin-1-yl)-2-oxoethyl]amino]ethyl]-N,N-dimethyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)tricyclo[9.5.0.03,8]hexadeca-1(11),3(8),4,6,12-pentaene-6-carboxamide;N,N-dimethylethenamine;ethane;2-methylpropane.

What is the SMILES notation for 2-[2-[[2-(2-cyanopiperidin-1-yl)-2-oxoethyl]amino]ethyl]-N,N-dimethyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)tricyclo[9.5.0.03,8]hexadeca-1(11),3(8),4,6,12-pentaene-6-carboxamide;N,N-dimethylethenamine;ethane;2-methylpropane?

The canonical SMILES for 2-[2-[[2-(2-cyanopiperidin-1-yl)-2-oxoethyl]amino]ethyl]-N,N-dimethyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)tricyclo[9.5.0.03,8]hexadeca-1(11),3(8),4,6,12-pentaene-6-carboxamide;N,N-dimethylethenamine;ethane;2-methylpropane is C=CN(C)C.CC.CC(C)C.Cc1nnc(C2(CCNCC(=O)N3CCCCC3C#N)C3=C(C=CCCC3)CCc3cc(C(=O)N(C)C)ccc32)o1.

What is the InChIKey of 2-[2-[[2-(2-cyanopiperidin-1-yl)-2-oxoethyl]amino]ethyl]-N,N-dimethyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)tricyclo[9.5.0.03,8]hexadeca-1(11),3(8),4,6,12-pentaene-6-carboxamide;N,N-dimethylethenamine;ethane;2-methylpropane?

The InChIKey is LIHZVOHEWBVNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N6O3.C4H9N.C4H10.C2H6/c1-22-35-36-31(41-22)32(16-17-34-21-29(39)38-18-8-7-10-26(38)20-33)27-11-6-4-5-9-23(27)12-13-24-19-25(14-15-28(24)32)30(40)37(2)3;1-4-5(2)3;1-4(2)3;1-2/h5,9,14-15,19,26,34H,4,6-8,10-13,16-18,21H2,1-3H3;4H,1H2,2-3H3;4H,1-3H3;1-2H3.

What are the key properties of 2-[2-[[2-(2-cyanopiperidin-1-yl)-2-oxoethyl]amino]ethyl]-N,N-dimethyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)tricyclo[9.5.0.03,8]hexadeca-1(11),3(8),4,6,12-pentaene-6-carboxamide;N,N-dimethylethenamine;ethane;2-methylpropane?

2-[2-[[2-(2-cyanopiperidin-1-yl)-2-oxoethyl]amino]ethyl]-N,N-dimethyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)tricyclo[9.5.0.03,8]hexadeca-1(11),3(8),4,6,12-pentaene-6-carboxamide;N,N-dimethylethenamine;ethane;2-methylpropane has a molecular weight of 716.03 g/mol, XLogP of 7.61, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[2-(2-cyanopiperidin-1-yl)-2-oxoethyl]amino]ethyl]-N,N-dimethyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)tricyclo[9.5.0.03,8]hexadeca-1(11),3(8),4,6,12-pentaene-6-carboxamide;N,N-dimethylethenamine;ethane;2-methylpropane is sourced from PubChem (CID 143319040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).