5-chloro-N-[[1-[2-(4-methoxyphenyl)propan-2-yl]piperidin-3-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;5-chloro-N-(piperidin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1-(2-chloropropan-2-yl)-4-methoxybenzene;methane

C56H71Cl3F6N6O4 — CID 158261374

About 5-chloro-N-[[1-[2-(4-methoxyphenyl)propan-2-yl]piperidin-3-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;5-chloro-N-(piperidin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1-(2-chloropropan-2-yl)-4-methoxybenzene;methane

5-chloro-N-[[1-[2-(4-methoxyphenyl)propan-2-yl]piperidin-3-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;5-chloro-N-(piperidin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1-(2-chloropropan-2-yl)-4-methoxybenzene;methane (PubChem CID 158261374) has the molecular formula C56H71Cl3F6N6O4 and a molecular weight of 1112.57 g/mol. Its IUPAC name is 5-chloro-N-[[1-[2-(4-methoxyphenyl)propan-2-yl]piperidin-3-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;5-chloro-N-(piperidin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1-(2-chloropropan-2-yl)-4-methoxybenzene;methane.

Molecular Properties

• Compound Name: 5-chloro-N-[[1-[2-(4-methoxyphenyl)propan-2-yl]piperidin-3-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;5-chloro-N-(piperidin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1-(2-chloropropan-2-yl)-4-methoxybenzene;methane
• PubChem CID: 158261374
• Molecular Formula: C56H71Cl3F6N6O4
• Molecular Weight: 1112.57 g/mol
• Exact Mass: 1110.45
• IUPAC Name: 5-chloro-N-[[1-[2-(4-methoxyphenyl)propan-2-yl]piperidin-3-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;5-chloro-N-(piperidin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1-(2-chloropropan-2-yl)-4-methoxybenzene;methane
• SMILES: C.C.COc1ccc(C(C)(C)Cl)cc1.COc1ccc(C(C)(C)N2CCCC(CN(CC(F)(F)F)C(=O)c3cc4cc(Cl)ccc4[nH]3)C2)cc1.O=C(c1cc2cc(Cl)ccc2[nH]1)N(CC1CCCNC1)CC(F)(F)F
• InChI: InChI=1S/C27H31ClF3N3O2.C17H19ClF3N3O.C10H13ClO.2CH4/c1-26(2,20-6-9-22(36-3)10-7-20)34-12-4-5-18(16-34)15-33(17-27(29,30)31)25(35)24-14-19-13-21(28)8-11-23(19)32-24;18-13-3-4-14-12(6-13)7-15(23-14)16(25)24(10-17(19,20)21)9-11-2-1-5-22-8-11;1-10(2,11)8-4-6-9(12-3)7-5-8;;/h6-11,13-14,18,32H,4-5,12,15-17H2,1-3H3;3-4,6-7,11,22-23H,1-2,5,8-10H2;4-7H,1-3H3;2*1H4
• InChIKey: GHXGZJIHNWUGHE-UHFFFAOYSA-N
• XLogP: 14.75
• TPSA: 105.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1112.57
LogP ≤ 5	14.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[1-[2-(4-methoxyphenyl)propan-2-yl]piperidin-3-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;5-chloro-N-(piperidin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1-(2-chloropropan-2-yl)-4-methoxybenzene;methane?

The IUPAC name of 5-chloro-N-[[1-[2-(4-methoxyphenyl)propan-2-yl]piperidin-3-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;5-chloro-N-(piperidin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1-(2-chloropropan-2-yl)-4-methoxybenzene;methane (CID 158261374) is 5-chloro-N-[[1-[2-(4-methoxyphenyl)propan-2-yl]piperidin-3-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;5-chloro-N-(piperidin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1-(2-chloropropan-2-yl)-4-methoxybenzene;methane.

What is the SMILES notation for 5-chloro-N-[[1-[2-(4-methoxyphenyl)propan-2-yl]piperidin-3-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;5-chloro-N-(piperidin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1-(2-chloropropan-2-yl)-4-methoxybenzene;methane?

The canonical SMILES for 5-chloro-N-[[1-[2-(4-methoxyphenyl)propan-2-yl]piperidin-3-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;5-chloro-N-(piperidin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1-(2-chloropropan-2-yl)-4-methoxybenzene;methane is C.C.COc1ccc(C(C)(C)Cl)cc1.COc1ccc(C(C)(C)N2CCCC(CN(CC(F)(F)F)C(=O)c3cc4cc(Cl)ccc4[nH]3)C2)cc1.O=C(c1cc2cc(Cl)ccc2[nH]1)N(CC1CCCNC1)CC(F)(F)F.

What is the InChIKey of 5-chloro-N-[[1-[2-(4-methoxyphenyl)propan-2-yl]piperidin-3-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;5-chloro-N-(piperidin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1-(2-chloropropan-2-yl)-4-methoxybenzene;methane?

The InChIKey is GHXGZJIHNWUGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClF3N3O2.C17H19ClF3N3O.C10H13ClO.2CH4/c1-26(2,20-6-9-22(36-3)10-7-20)34-12-4-5-18(16-34)15-33(17-27(29,30)31)25(35)24-14-19-13-21(28)8-11-23(19)32-24;18-13-3-4-14-12(6-13)7-15(23-14)16(25)24(10-17(19,20)21)9-11-2-1-5-22-8-11;1-10(2,11)8-4-6-9(12-3)7-5-8;;/h6-11,13-14,18,32H,4-5,12,15-17H2,1-3H3;3-4,6-7,11,22-23H,1-2,5,8-10H2;4-7H,1-3H3;2*1H4.

What are the key properties of 5-chloro-N-[[1-[2-(4-methoxyphenyl)propan-2-yl]piperidin-3-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;5-chloro-N-(piperidin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1-(2-chloropropan-2-yl)-4-methoxybenzene;methane?

5-chloro-N-[[1-[2-(4-methoxyphenyl)propan-2-yl]piperidin-3-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;5-chloro-N-(piperidin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1-(2-chloropropan-2-yl)-4-methoxybenzene;methane has a molecular weight of 1112.57 g/mol, XLogP of 14.75, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[[1-[2-(4-methoxyphenyl)propan-2-yl]piperidin-3-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;5-chloro-N-(piperidin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1-(2-chloropropan-2-yl)-4-methoxybenzene;methane is sourced from PubChem (CID 158261374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).