tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carbonyl]amino]piperidine-1-carboxylate;N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid;methane

C90H119F3N12O9 — CID 158968310

About tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carbonyl]amino]piperidine-1-carboxylate;N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid;methane

tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carbonyl]amino]piperidine-1-carboxylate;N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid;methane (PubChem CID 158968310) has the molecular formula C90H119F3N12O9 and a molecular weight of 1570.01 g/mol. Its IUPAC name is tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carbonyl]amino]piperidine-1-carboxylate;N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid;methane.

Molecular Properties

• Compound Name: tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carbonyl]amino]piperidine-1-carboxylate;N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid;methane
• PubChem CID: 158968310
• Molecular Formula: C90H119F3N12O9
• Molecular Weight: 1570.01 g/mol
• Exact Mass: 1568.92
• IUPAC Name: tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carbonyl]amino]piperidine-1-carboxylate;N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid;methane
• SMILES: C.C.C.C.CC(C)(C)OC(=O)N1CCC(N)CC1.CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc3[nH]c4c(c3c2)CN(c2ccc(F)cc2)CC4)CC1.O=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1ccc2[nH]c3c(c2c1)CN(c1ccc(F)cc1)CC3.O=C(O)c1ccc2[nH]c3c(c2c1)CN(c1ccc(F)cc1)CC3
• InChI: InChI=1S/C30H35FN4O2.C28H33FN4O3.C18H15FN2O2.C10H20N2O2.4CH4/c31-22-7-9-24(10-8-22)35-17-14-28-26(19-35)25-18-21(6-11-27(25)33-28)29(36)32-23-12-15-34(16-13-23)30(37)20-4-2-1-3-5-20;1-28(2,3)36-27(35)32-13-10-20(11-14-32)30-26(34)18-4-9-24-22(16-18)23-17-33(15-12-25(23)31-24)21-7-5-19(29)6-8-21;19-12-2-4-13(5-3-12)21-8-7-17-15(10-21)14-9-11(18(22)23)1-6-16(14)20-17;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;;;;/h6-11,18,20,23,33H,1-5,12-17,19H2,(H,32,36);4-9,16,20,31H,10-15,17H2,1-3H3,(H,30,34);1-6,9,20H,7-8,10H2,(H,22,23);8H,4-7,11H2,1-3H3;4*1H4
• InChIKey: JNMIUYVYVSINOR-UHFFFAOYSA-N
• XLogP: 17.63
• TPSA: 258.00 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1570.01
LogP ≤ 5	17.63
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carbonyl]amino]piperidine-1-carboxylate;N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid;methane?

The IUPAC name of tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carbonyl]amino]piperidine-1-carboxylate;N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid;methane (CID 158968310) is tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carbonyl]amino]piperidine-1-carboxylate;N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid;methane.

What is the SMILES notation for tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carbonyl]amino]piperidine-1-carboxylate;N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid;methane?

The canonical SMILES for tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carbonyl]amino]piperidine-1-carboxylate;N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid;methane is C.C.C.C.CC(C)(C)OC(=O)N1CCC(N)CC1.CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc3[nH]c4c(c3c2)CN(c2ccc(F)cc2)CC4)CC1.O=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1ccc2[nH]c3c(c2c1)CN(c1ccc(F)cc1)CC3.O=C(O)c1ccc2[nH]c3c(c2c1)CN(c1ccc(F)cc1)CC3.

What is the InChIKey of tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carbonyl]amino]piperidine-1-carboxylate;N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid;methane?

The InChIKey is JNMIUYVYVSINOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN4O2.C28H33FN4O3.C18H15FN2O2.C10H20N2O2.4CH4/c31-22-7-9-24(10-8-22)35-17-14-28-26(19-35)25-18-21(6-11-27(25)33-28)29(36)32-23-12-15-34(16-13-23)30(37)20-4-2-1-3-5-20;1-28(2,3)36-27(35)32-13-10-20(11-14-32)30-26(34)18-4-9-24-22(16-18)23-17-33(15-12-25(23)31-24)21-7-5-19(29)6-8-21;19-12-2-4-13(5-3-12)21-8-7-17-15(10-21)14-9-11(18(22)23)1-6-16(14)20-17;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;;;;/h6-11,18,20,23,33H,1-5,12-17,19H2,(H,32,36);4-9,16,20,31H,10-15,17H2,1-3H3,(H,30,34);1-6,9,20H,7-8,10H2,(H,22,23);8H,4-7,11H2,1-3H3;4*1H4.

What are the key properties of tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carbonyl]amino]piperidine-1-carboxylate;N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid;methane?

tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carbonyl]amino]piperidine-1-carboxylate;N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid;methane has a molecular weight of 1570.01 g/mol, XLogP of 17.63, 9 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carbonyl]amino]piperidine-1-carboxylate;N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid;methane is sourced from PubChem (CID 158968310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).