N-ethyl-N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]ethanamine;1H-indole-2-carboxylic acid;methane

C55H74F2N6O3 — CID 158935927

IUPACN-ethyl-N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]ethanamine;1H-indole-2-carboxylic acid;methane
SMILESC.CCN(CC1CCN(C(C)(C)Cc2cccc(F)c2)CC1)C(=O)c1cc2ccccc2[nH]1.CCNCC1CCN(C(C)(C)Cc2cccc(F)c2)CC1.O=C(O)c1cc2ccccc2[nH]1
InChIInChI=1S/C27H34FN3O.C18H29FN2.C9H7NO2.CH4/c1-4-30(26(32)25-17-22-9-5-6-11-24(22)29-25)19-20-12-14-31(15-13-20)27(2,3)18-21-8-7-10-23(28)16-21;1-4-20-14-15-8-10-21(11-9-15)18(2,3)13-16-6-5-7-17(19)12-16;11-9(12)8-5-6-3-1-2-4-7(6)10-8;/h5-11,16-17,20,29H,4,12-15,18-19H2,1-3H3;5-7,12,15,20H,4,8-11,13-14H2,1-3H3;1-5,10H,(H,11,12);1H4
InChIKeyJJQKXMAXBHCMHV-UHFFFAOYSA-N
MW905.23 g/mol
LogP11.47
Rot. Bonds14

About N-ethyl-N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]ethanamine;1H-indole-2-carboxylic acid;methane

N-ethyl-N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]ethanamine;1H-indole-2-carboxylic acid;methane (PubChem CID 158935927) has the molecular formula C55H74F2N6O3 and a molecular weight of 905.23 g/mol. Its IUPAC name is N-ethyl-N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]ethanamine;1H-indole-2-carboxylic acid;methane.

Molecular Properties

Compound NameN-ethyl-N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]ethanamine;1H-indole-2-carboxylic acid;methane
PubChem CID158935927
Molecular FormulaC55H74F2N6O3
Molecular Weight905.23 g/mol
Exact Mass904.58
IUPAC NameN-ethyl-N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]ethanamine;1H-indole-2-carboxylic acid;methane
SMILESC.CCN(CC1CCN(C(C)(C)Cc2cccc(F)c2)CC1)C(=O)c1cc2ccccc2[nH]1.CCNCC1CCN(C(C)(C)Cc2cccc(F)c2)CC1.O=C(O)c1cc2ccccc2[nH]1
InChIInChI=1S/C27H34FN3O.C18H29FN2.C9H7NO2.CH4/c1-4-30(26(32)25-17-22-9-5-6-11-24(22)29-25)19-20-12-14-31(15-13-20)27(2,3)18-21-8-7-10-23(28)16-21;1-4-20-14-15-8-10-21(11-9-15)18(2,3)13-16-6-5-7-17(19)12-16;11-9(12)8-5-6-3-1-2-4-7(6)10-8;/h5-11,16-17,20,29H,4,12-15,18-19H2,1-3H3;5-7,12,15,20H,4,8-11,13-14H2,1-3H3;1-5,10H,(H,11,12);1H4
InChIKeyJJQKXMAXBHCMHV-UHFFFAOYSA-N
XLogP11.47
TPSA107.70 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.23
LogP ≤ 511.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-ethyl-N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]ethanamine;1H-indole-2-carboxylic acid;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]ethanamine;1H-indole-2-carboxylic acid;methane?
The IUPAC name of N-ethyl-N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]ethanamine;1H-indole-2-carboxylic acid;methane (CID 158935927) is N-ethyl-N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]ethanamine;1H-indole-2-carboxylic acid;methane.
What is the SMILES notation for N-ethyl-N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]ethanamine;1H-indole-2-carboxylic acid;methane?
The canonical SMILES for N-ethyl-N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]ethanamine;1H-indole-2-carboxylic acid;methane is C.CCN(CC1CCN(C(C)(C)Cc2cccc(F)c2)CC1)C(=O)c1cc2ccccc2[nH]1.CCNCC1CCN(C(C)(C)Cc2cccc(F)c2)CC1.O=C(O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-ethyl-N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]ethanamine;1H-indole-2-carboxylic acid;methane?
The InChIKey is JJQKXMAXBHCMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN3O.C18H29FN2.C9H7NO2.CH4/c1-4-30(26(32)25-17-22-9-5-6-11-24(22)29-25)19-20-12-14-31(15-13-20)27(2,3)18-21-8-7-10-23(28)16-21;1-4-20-14-15-8-10-21(11-9-15)18(2,3)13-16-6-5-7-17(19)12-16;11-9(12)8-5-6-3-1-2-4-7(6)10-8;/h5-11,16-17,20,29H,4,12-15,18-19H2,1-3H3;5-7,12,15,20H,4,8-11,13-14H2,1-3H3;1-5,10H,(H,11,12);1H4.
What are the key properties of N-ethyl-N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]ethanamine;1H-indole-2-carboxylic acid;methane?
N-ethyl-N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]ethanamine;1H-indole-2-carboxylic acid;methane has a molecular weight of 905.23 g/mol, XLogP of 11.47, 14 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]ethanamine;1H-indole-2-carboxylic acid;methane is sourced from PubChem (CID 158935927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).