benzyl 8-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-[[2-[(4-carbamoylphenyl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carbonyl]amino]piperidine-1-carboxylate;2-[(4-carbamoylphenyl)methyl]-N-(1-cyclohexylpiperidin-4-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;ethane;methane

C108H168N14O11 — CID 158390255

About benzyl 8-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-[[2-[(4-carbamoylphenyl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carbonyl]amino]piperidine-1-carboxylate;2-[(4-carbamoylphenyl)methyl]-N-(1-cyclohexylpiperidin-4-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;ethane;methane

benzyl 8-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-[[2-[(4-carbamoylphenyl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carbonyl]amino]piperidine-1-carboxylate;2-[(4-carbamoylphenyl)methyl]-N-(1-cyclohexylpiperidin-4-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;ethane;methane (PubChem CID 158390255) has the molecular formula C108H168N14O11 and a molecular weight of 1838.62 g/mol. Its IUPAC name is benzyl 8-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-[[2-[(4-carbamoylphenyl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carbonyl]amino]piperidine-1-carboxylate;2-[(4-carbamoylphenyl)methyl]-N-(1-cyclohexylpiperidin-4-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;ethane;methane.

Molecular Properties

• Compound Name: benzyl 8-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-[[2-[(4-carbamoylphenyl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carbonyl]amino]piperidine-1-carboxylate;2-[(4-carbamoylphenyl)methyl]-N-(1-cyclohexylpiperidin-4-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;ethane;methane
• PubChem CID: 158390255
• Molecular Formula: C108H168N14O11
• Molecular Weight: 1838.62 g/mol
• Exact Mass: 1837.30
• IUPAC Name: benzyl 8-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-[[2-[(4-carbamoylphenyl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carbonyl]amino]piperidine-1-carboxylate;2-[(4-carbamoylphenyl)methyl]-N-(1-cyclohexylpiperidin-4-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;ethane;methane
• SMILES: C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc3[nH]c4c(c3c2)CN(C(=O)OCc2ccccc2)CC4)CC1.CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc3[nH]c4c(c3c2)CN(Cc2ccc(C(N)=O)cc2)CC4)CC1.NC(=O)c1ccc(CN2CCc3[nH]c4ccc(C(=O)NC5CCN(C6CCCCC6)CC5)cc4c3C2)cc1
• InChI: InChI=1S/C31H39N5O2.C30H37N5O4.C30H36N4O5.6C2H6.5CH4/c32-30(37)22-8-6-21(7-9-22)19-35-15-14-29-27(20-35)26-18-23(10-11-28(26)34-29)31(38)33-24-12-16-36(17-13-24)25-4-2-1-3-5-25;1-30(2,3)39-29(38)35-14-10-22(11-15-35)32-28(37)21-8-9-25-23(16-21)24-18-34(13-12-26(24)33-25)17-19-4-6-20(7-5-19)27(31)36;1-30(2,3)39-29(37)33-14-11-22(12-15-33)31-27(35)21-9-10-25-23(17-21)24-18-34(16-13-26(24)32-25)28(36)38-19-20-7-5-4-6-8-20;6*1-2;;;;;/h6-11,18,24-25,34H,1-5,12-17,19-20H2,(H2,32,37)(H,33,38);4-9,16,22,33H,10-15,17-18H2,1-3H3,(H2,31,36)(H,32,37);4-10,17,22,32H,11-16,18-19H2,1-3H3,(H,31,35);6*1-2H3;5*1H4
• InChIKey: GWWGXUXAMPVHAV-UHFFFAOYSA-N
• XLogP: 22.64
• TPSA: 319.19 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1838.62
LogP ≤ 5	22.64
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl 8-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-[[2-[(4-carbamoylphenyl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carbonyl]amino]piperidine-1-carboxylate;2-[(4-carbamoylphenyl)methyl]-N-(1-cyclohexylpiperidin-4-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;ethane;methane?

The IUPAC name of benzyl 8-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-[[2-[(4-carbamoylphenyl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carbonyl]amino]piperidine-1-carboxylate;2-[(4-carbamoylphenyl)methyl]-N-(1-cyclohexylpiperidin-4-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;ethane;methane (CID 158390255) is benzyl 8-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-[[2-[(4-carbamoylphenyl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carbonyl]amino]piperidine-1-carboxylate;2-[(4-carbamoylphenyl)methyl]-N-(1-cyclohexylpiperidin-4-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;ethane;methane.

What is the SMILES notation for benzyl 8-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-[[2-[(4-carbamoylphenyl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carbonyl]amino]piperidine-1-carboxylate;2-[(4-carbamoylphenyl)methyl]-N-(1-cyclohexylpiperidin-4-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;ethane;methane?

The canonical SMILES for benzyl 8-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-[[2-[(4-carbamoylphenyl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carbonyl]amino]piperidine-1-carboxylate;2-[(4-carbamoylphenyl)methyl]-N-(1-cyclohexylpiperidin-4-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;ethane;methane is C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc3[nH]c4c(c3c2)CN(C(=O)OCc2ccccc2)CC4)CC1.CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc3[nH]c4c(c3c2)CN(Cc2ccc(C(N)=O)cc2)CC4)CC1.NC(=O)c1ccc(CN2CCc3[nH]c4ccc(C(=O)NC5CCN(C6CCCCC6)CC5)cc4c3C2)cc1.

What is the InChIKey of benzyl 8-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-[[2-[(4-carbamoylphenyl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carbonyl]amino]piperidine-1-carboxylate;2-[(4-carbamoylphenyl)methyl]-N-(1-cyclohexylpiperidin-4-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;ethane;methane?

The InChIKey is GWWGXUXAMPVHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N5O2.C30H37N5O4.C30H36N4O5.6C2H6.5CH4/c32-30(37)22-8-6-21(7-9-22)19-35-15-14-29-27(20-35)26-18-23(10-11-28(26)34-29)31(38)33-24-12-16-36(17-13-24)25-4-2-1-3-5-25;1-30(2,3)39-29(38)35-14-10-22(11-15-35)32-28(37)21-8-9-25-23(16-21)24-18-34(13-12-26(24)33-25)17-19-4-6-20(7-5-19)27(31)36;1-30(2,3)39-29(37)33-14-11-22(12-15-33)31-27(35)21-9-10-25-23(17-21)24-18-34(16-13-26(24)32-25)28(36)38-19-20-7-5-4-6-8-20;6*1-2;;;;;/h6-11,18,24-25,34H,1-5,12-17,19-20H2,(H2,32,37)(H,33,38);4-9,16,22,33H,10-15,17-18H2,1-3H3,(H2,31,36)(H,32,37);4-10,17,22,32H,11-16,18-19H2,1-3H3,(H,31,35);6*1-2H3;5*1H4.

What are the key properties of benzyl 8-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-[[2-[(4-carbamoylphenyl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carbonyl]amino]piperidine-1-carboxylate;2-[(4-carbamoylphenyl)methyl]-N-(1-cyclohexylpiperidin-4-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;ethane;methane?

benzyl 8-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-[[2-[(4-carbamoylphenyl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carbonyl]amino]piperidine-1-carboxylate;2-[(4-carbamoylphenyl)methyl]-N-(1-cyclohexylpiperidin-4-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;ethane;methane has a molecular weight of 1838.62 g/mol, XLogP of 22.64, 15 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 8-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-[[2-[(4-carbamoylphenyl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carbonyl]amino]piperidine-1-carboxylate;2-[(4-carbamoylphenyl)methyl]-N-(1-cyclohexylpiperidin-4-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;ethane;methane is sourced from PubChem (CID 158390255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).