N-ethyl-N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide;bis(N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide)

C138H175F6N15O5 — CID 158686266

IUPACN-ethyl-N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide;bis(N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide)
SMILESCCN(CC1CCCN(C(C)(C)Cc2cccc(C)c2)C1)C(=O)c1cc2ccccc2[nH]1.CCN(CC1CCCN(C(C)(C)Cc2ccccc2)C1)C(=O)c1cc2ccccc2[nH]1.CCN(CC1CCN(C(C)(C)Cc2ccccc2)CC1)C(=O)c1cc2ccccc2[nH]1.Cc1cccc(CC(C)(C)N2CCC(CN(CC(F)(F)F)C(=O)c3cc4ccccc4[nH]3)CC2)c1.Cc1cccc(CC(C)(C)N2CCC(CN(CC(F)(F)F)C(=O)c3cc4ccccc4[nH]3)CC2)c1
InChIInChI=1S/2C28H34F3N3O.C28H37N3O.2C27H35N3O/c2*1-20-7-6-8-22(15-20)17-27(2,3)34-13-11-21(12-14-34)18-33(19-28(29,30)31)26(35)25-16-23-9-4-5-10-24(23)32-25;1-5-30(27(32)26-17-24-13-6-7-14-25(24)29-26)19-23-12-9-15-31(20-23)28(3,4)18-22-11-8-10-21(2)16-22;1-4-29(26(31)25-17-23-14-8-9-15-24(23)28-25)19-22-13-10-16-30(20-22)27(2,3)18-21-11-6-5-7-12-21;1-4-29(26(31)25-18-23-12-8-9-13-24(23)28-25)20-22-14-16-30(17-15-22)27(2,3)19-21-10-6-5-7-11-21/h2*4-10,15-16,21,32H,11-14,17-19H2,1-3H3;6-8,10-11,13-14,16-17,23,29H,5,9,12,15,18-20H2,1-4H3;5-9,11-12,14-15,17,22,28H,4,10,13,16,18-20H2,1-3H3;5-13,18,22,28H,4,14-17,19-20H2,1-3H3
InChIKeyIFTWPRYLXGEFGA-UHFFFAOYSA-N
MW2238.01 g/mol
LogP28.83
Rot. Bonds35

About N-ethyl-N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide;bis(N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide)

N-ethyl-N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide;bis(N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide) (PubChem CID 158686266) has the molecular formula C138H175F6N15O5 and a molecular weight of 2238.01 g/mol. Its IUPAC name is N-ethyl-N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide;bis(N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide).

Molecular Properties

Compound NameN-ethyl-N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide;bis(N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide)
PubChem CID158686266
Molecular FormulaC138H175F6N15O5
Molecular Weight2238.01 g/mol
Exact Mass2236.38
IUPAC NameN-ethyl-N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide;bis(N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide)
SMILESCCN(CC1CCCN(C(C)(C)Cc2cccc(C)c2)C1)C(=O)c1cc2ccccc2[nH]1.CCN(CC1CCCN(C(C)(C)Cc2ccccc2)C1)C(=O)c1cc2ccccc2[nH]1.CCN(CC1CCN(C(C)(C)Cc2ccccc2)CC1)C(=O)c1cc2ccccc2[nH]1.Cc1cccc(CC(C)(C)N2CCC(CN(CC(F)(F)F)C(=O)c3cc4ccccc4[nH]3)CC2)c1.Cc1cccc(CC(C)(C)N2CCC(CN(CC(F)(F)F)C(=O)c3cc4ccccc4[nH]3)CC2)c1
InChIInChI=1S/2C28H34F3N3O.C28H37N3O.2C27H35N3O/c2*1-20-7-6-8-22(15-20)17-27(2,3)34-13-11-21(12-14-34)18-33(19-28(29,30)31)26(35)25-16-23-9-4-5-10-24(23)32-25;1-5-30(27(32)26-17-24-13-6-7-14-25(24)29-26)19-23-12-9-15-31(20-23)28(3,4)18-22-11-8-10-21(2)16-22;1-4-29(26(31)25-17-23-14-8-9-15-24(23)28-25)19-22-13-10-16-30(20-22)27(2,3)18-21-11-6-5-7-12-21;1-4-29(26(31)25-18-23-12-8-9-13-24(23)28-25)20-22-14-16-30(17-15-22)27(2,3)19-21-10-6-5-7-11-21/h2*4-10,15-16,21,32H,11-14,17-19H2,1-3H3;6-8,10-11,13-14,16-17,23,29H,5,9,12,15,18-20H2,1-4H3;5-9,11-12,14-15,17,22,28H,4,10,13,16,18-20H2,1-3H3;5-13,18,22,28H,4,14-17,19-20H2,1-3H3
InChIKeyIFTWPRYLXGEFGA-UHFFFAOYSA-N
XLogP28.83
TPSA196.70 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds35
Heavy Atoms164
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002238.01
LogP ≤ 528.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze N-ethyl-N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide;bis(N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide) with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide;bis(N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide)?
The IUPAC name of N-ethyl-N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide;bis(N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide) (CID 158686266) is N-ethyl-N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide;bis(N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide).
What is the SMILES notation for N-ethyl-N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide;bis(N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide)?
The canonical SMILES for N-ethyl-N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide;bis(N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide) is CCN(CC1CCCN(C(C)(C)Cc2cccc(C)c2)C1)C(=O)c1cc2ccccc2[nH]1.CCN(CC1CCCN(C(C)(C)Cc2ccccc2)C1)C(=O)c1cc2ccccc2[nH]1.CCN(CC1CCN(C(C)(C)Cc2ccccc2)CC1)C(=O)c1cc2ccccc2[nH]1.Cc1cccc(CC(C)(C)N2CCC(CN(CC(F)(F)F)C(=O)c3cc4ccccc4[nH]3)CC2)c1.Cc1cccc(CC(C)(C)N2CCC(CN(CC(F)(F)F)C(=O)c3cc4ccccc4[nH]3)CC2)c1.
What is the InChIKey of N-ethyl-N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide;bis(N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide)?
The InChIKey is IFTWPRYLXGEFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H34F3N3O.C28H37N3O.2C27H35N3O/c2*1-20-7-6-8-22(15-20)17-27(2,3)34-13-11-21(12-14-34)18-33(19-28(29,30)31)26(35)25-16-23-9-4-5-10-24(23)32-25;1-5-30(27(32)26-17-24-13-6-7-14-25(24)29-26)19-23-12-9-15-31(20-23)28(3,4)18-22-11-8-10-21(2)16-22;1-4-29(26(31)25-17-23-14-8-9-15-24(23)28-25)19-22-13-10-16-30(20-22)27(2,3)18-21-11-6-5-7-12-21;1-4-29(26(31)25-18-23-12-8-9-13-24(23)28-25)20-22-14-16-30(17-15-22)27(2,3)19-21-10-6-5-7-11-21/h2*4-10,15-16,21,32H,11-14,17-19H2,1-3H3;6-8,10-11,13-14,16-17,23,29H,5,9,12,15,18-20H2,1-4H3;5-9,11-12,14-15,17,22,28H,4,10,13,16,18-20H2,1-3H3;5-13,18,22,28H,4,14-17,19-20H2,1-3H3.
What are the key properties of N-ethyl-N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide;bis(N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide)?
N-ethyl-N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide;bis(N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide) has a molecular weight of 2238.01 g/mol, XLogP of 28.83, 35 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide;bis(N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide) is sourced from PubChem (CID 158686266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).