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

C55H71F5N6O3 — CID 157487550

IUPACN-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]ethanamine;N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1H-indole-2-carboxylic acid;methane
SMILESC.CC(C)(Cc1cccc(F)c1)N1CCC(CN(CC(F)(F)F)C(=O)c2cc3ccccc3[nH]2)CC1.CCNCC1CCN(C(C)(C)Cc2cccc(F)c2)CC1.O=C(O)c1cc2ccccc2[nH]1
InChIInChI=1S/C27H31F4N3O.C18H29FN2.C9H7NO2.CH4/c1-26(2,16-20-6-5-8-22(28)14-20)34-12-10-19(11-13-34)17-33(18-27(29,30)31)25(35)24-15-21-7-3-4-9-23(21)32-24;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;/h3-9,14-15,19,32H,10-13,16-18H2,1-2H3;5-7,12,15,20H,4,8-11,13-14H2,1-3H3;1-5,10H,(H,11,12);1H4
InChIKeyBWWVAMBHTYMTCA-UHFFFAOYSA-N
MW959.20 g/mol
LogP12.02
Rot. Bonds14

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

N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]ethanamine;N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1H-indole-2-carboxylic acid;methane (PubChem CID 157487550) has the molecular formula C55H71F5N6O3 and a molecular weight of 959.20 g/mol. Its IUPAC name is N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]ethanamine;N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1H-indole-2-carboxylic acid;methane.

Molecular Properties

Compound NameN-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]ethanamine;N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1H-indole-2-carboxylic acid;methane
PubChem CID157487550
Molecular FormulaC55H71F5N6O3
Molecular Weight959.20 g/mol
Exact Mass958.55
IUPAC NameN-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]ethanamine;N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1H-indole-2-carboxylic acid;methane
SMILESC.CC(C)(Cc1cccc(F)c1)N1CCC(CN(CC(F)(F)F)C(=O)c2cc3ccccc3[nH]2)CC1.CCNCC1CCN(C(C)(C)Cc2cccc(F)c2)CC1.O=C(O)c1cc2ccccc2[nH]1
InChIInChI=1S/C27H31F4N3O.C18H29FN2.C9H7NO2.CH4/c1-26(2,16-20-6-5-8-22(28)14-20)34-12-10-19(11-13-34)17-33(18-27(29,30)31)25(35)24-15-21-7-3-4-9-23(21)32-24;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;/h3-9,14-15,19,32H,10-13,16-18H2,1-2H3;5-7,12,15,20H,4,8-11,13-14H2,1-3H3;1-5,10H,(H,11,12);1H4
InChIKeyBWWVAMBHTYMTCA-UHFFFAOYSA-N
XLogP12.02
TPSA107.70 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500959.20
LogP ≤ 512.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid
CID 16195518
5-[[(3S)-3-[[3-cyclohexyl-1-methyl-2-(2-pyridyl)indole-6-carbonyl]amino]piperidine-3-carbonyl]amino]-1-methyl-indole-2-carboxylic acid
CID 54582740
5-[[2-[[3-Cyclohexyl-1-methyl-2-(2-pyridyl)indole-6-carbonyl]amino]-2-methyl-propanoyl]amino]-1-methyl-indole-2-carboxylic acid
CID 54586606
5-[[2-[[3-Cyclopentyl-1-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]indole-6-carbonyl]amino]-2-methylpropanoyl]amino]-1-methylindole-2-carboxylic acid
CID 71452105
5-[[2-[[3-Cyclopentyl-1-methyl-2-(6-methyl-2-pyridinyl)indole-6-carbonyl]amino]-2-methylpropanoyl]amino]-1-methylindole-2-carboxylic acid
CID 71453934
5-[[2-[[3-Cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carbonyl]amino]-2-methylpropanoyl]amino]-1-methylindole-2-carboxylic acid
CID 71453936
5-[[(2S,3R)-1-[4-[(1S)-1-amino-2-fluoroethyl]cyclohexanecarbonyl]-3-phenylpyrrolidine-2-carbonyl]amino]-1H-indole-2-carboxylic acid
CID 72948261
(3S)-1-[(trans-4-{(1S)-1-[(tert-Butoxycarbonyl)amino]-2-fluoroethyl}cyclohexyl)carbonyl]-3-cyclohexyl-N-{4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl}-L-prolinamide
CID 72950902
5-[(2S,3S)-1-{trans-4-[1-(tert-Butoxycarbonyl)amino-2-fluoroethyl]cyclohexanecarbonyl}-3-cyclohexylpyrrolidine-2-carboxamide]-1-methyl-1H-indole-2-carboxylic acid
CID 118100838
5-[[(2S,3S)-1-[4-(1-amino-2-fluoroethyl)cyclohexanecarbonyl]-3-(4-fluorophenyl)pyrrolidine-2-carbonyl]amino]-1H-indole-2-carboxylic acid
CID 118100846
5-[(2S,3S)-1-{trans-4-[1-(tert-Butoxycarbonyl)amino-2-fluoroethyl]cyclohexanecarbonyl}-3-cyclohexylpyrrolidine-2-carboxamide]-3-methyl-1H-indole-2-carboxylic acid
CID 118100851
Cyclopentylmethyl 5-{[(3S)-1-[(trans-4-{(1S)-1-[(tert-butoxycarbonyl)amino]-2-fluoroethyl}cyclohexyl)carbonyl]-3-(trans-4-methoxycyclohexyl)-L-prolyl]amino}-1-benzofuran-2-carboxylate
CID 118100889

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]ethanamine;N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1H-indole-2-carboxylic acid;methane?
The IUPAC name of N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]ethanamine;N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1H-indole-2-carboxylic acid;methane (CID 157487550) is N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]ethanamine;N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1H-indole-2-carboxylic acid;methane.
What is the SMILES notation for N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]ethanamine;N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1H-indole-2-carboxylic acid;methane?
The canonical SMILES for N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]ethanamine;N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1H-indole-2-carboxylic acid;methane is C.CC(C)(Cc1cccc(F)c1)N1CCC(CN(CC(F)(F)F)C(=O)c2cc3ccccc3[nH]2)CC1.CCNCC1CCN(C(C)(C)Cc2cccc(F)c2)CC1.O=C(O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]ethanamine;N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1H-indole-2-carboxylic acid;methane?
The InChIKey is BWWVAMBHTYMTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F4N3O.C18H29FN2.C9H7NO2.CH4/c1-26(2,16-20-6-5-8-22(28)14-20)34-12-10-19(11-13-34)17-33(18-27(29,30)31)25(35)24-15-21-7-3-4-9-23(21)32-24;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;/h3-9,14-15,19,32H,10-13,16-18H2,1-2H3;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-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]ethanamine;N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1H-indole-2-carboxylic acid;methane?
N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]ethanamine;N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1H-indole-2-carboxylic acid;methane has a molecular weight of 959.20 g/mol, XLogP of 12.02, 14 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]ethanamine;N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1H-indole-2-carboxylic acid;methane is sourced from PubChem (CID 157487550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).