[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[(3R,4S)-3-[(3-fluoro-4-methylphenyl)methyl-methylamino]-4-phenylpyrrolidin-1-yl]methanone;3-(4-fluoro-2-methylphenyl)-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide;[(3R,4S)-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]-4-phenylpyrrolidin-1-yl]-[4-(1,3-oxazol-2-yl)phenyl]methanone;3-methyl-2,5-diphenyl-N-[(1S)-1-phenylpropyl]imidazole-4-carboxamide

C105H117F6N13O5 — CID 157293598

IUPAC[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[(3R,4S)-3-[(3-fluoro-4-methylphenyl)methyl-methylamino]-4-phenylpyrrolidin-1-yl]methanone;3-(4-fluoro-2-methylphenyl)-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide;[(3R,4S)-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]-4-phenylpyrrolidin-1-yl]-[4-(1,3-oxazol-2-yl)phenyl]methanone;3-methyl-2,5-diphenyl-N-[(1S)-1-phenylpropyl]imidazole-4-carboxamide
SMILESCC[C@H](NC(=O)C1CCNCC1c1ccc(F)cc1C)c1ccccc1.CC[C@H](NC(=O)c1c(-c2ccccc2)nc(-c2ccccc2)n1C)c1ccccc1.CN(Cc1ccc(C(F)(F)F)c(F)c1)[C@H]1CN(C(=O)c2ccc(-c3ncco3)cc2)C[C@@H]1c1ccccc1.Cc1ccc(CN(C)[C@H]2CN(C(=O)N3CCN(CCN(C)C)CC3)C[C@@H]2c2ccccc2)cc1F
InChIInChI=1S/C29H25F4N3O2.C28H40FN5O.C26H25N3O.C22H27FN2O/c1-35(16-19-7-12-24(25(30)15-19)29(31,32)33)26-18-36(17-23(26)20-5-3-2-4-6-20)28(37)22-10-8-21(9-11-22)27-34-13-14-38-27;1-22-10-11-23(18-26(22)29)19-31(4)27-21-34(20-25(27)24-8-6-5-7-9-24)28(35)33-16-14-32(15-17-33)13-12-30(2)3;1-3-22(19-13-7-4-8-14-19)27-26(30)24-23(20-15-9-5-10-16-20)28-25(29(24)2)21-17-11-6-12-18-21;1-3-21(16-7-5-4-6-8-16)25-22(26)19-11-12-24-14-20(19)18-10-9-17(23)13-15(18)2/h2-15,23,26H,16-18H2,1H3;5-11,18,25,27H,12-17,19-21H2,1-4H3;4-18,22H,3H2,1-2H3,(H,27,30);4-10,13,19-21,24H,3,11-12,14H2,1-2H3,(H,25,26)/t23-,26+;25-,27+;22-;19?,20?,21-/m1100/s1
InChIKeyBBBUVNLLGKKCNZ-OKTIVCJTSA-N
MW1755.16 g/mol
LogP19.30
Rot. Bonds24

About [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[(3R,4S)-3-[(3-fluoro-4-methylphenyl)methyl-methylamino]-4-phenylpyrrolidin-1-yl]methanone;3-(4-fluoro-2-methylphenyl)-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide;[(3R,4S)-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]-4-phenylpyrrolidin-1-yl]-[4-(1,3-oxazol-2-yl)phenyl]methanone;3-methyl-2,5-diphenyl-N-[(1S)-1-phenylpropyl]imidazole-4-carboxamide

[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[(3R,4S)-3-[(3-fluoro-4-methylphenyl)methyl-methylamino]-4-phenylpyrrolidin-1-yl]methanone;3-(4-fluoro-2-methylphenyl)-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide;[(3R,4S)-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]-4-phenylpyrrolidin-1-yl]-[4-(1,3-oxazol-2-yl)phenyl]methanone;3-methyl-2,5-diphenyl-N-[(1S)-1-phenylpropyl]imidazole-4-carboxamide (PubChem CID 157293598) has the molecular formula C105H117F6N13O5 and a molecular weight of 1755.16 g/mol. Its IUPAC name is [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[(3R,4S)-3-[(3-fluoro-4-methylphenyl)methyl-methylamino]-4-phenylpyrrolidin-1-yl]methanone;3-(4-fluoro-2-methylphenyl)-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide;[(3R,4S)-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]-4-phenylpyrrolidin-1-yl]-[4-(1,3-oxazol-2-yl)phenyl]methanone;3-methyl-2,5-diphenyl-N-[(1S)-1-phenylpropyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[(3R,4S)-3-[(3-fluoro-4-methylphenyl)methyl-methylamino]-4-phenylpyrrolidin-1-yl]methanone;3-(4-fluoro-2-methylphenyl)-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide;[(3R,4S)-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]-4-phenylpyrrolidin-1-yl]-[4-(1,3-oxazol-2-yl)phenyl]methanone;3-methyl-2,5-diphenyl-N-[(1S)-1-phenylpropyl]imidazole-4-carboxamide
PubChem CID157293598
Molecular FormulaC105H117F6N13O5
Molecular Weight1755.16 g/mol
Exact Mass1753.92
IUPAC Name[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[(3R,4S)-3-[(3-fluoro-4-methylphenyl)methyl-methylamino]-4-phenylpyrrolidin-1-yl]methanone;3-(4-fluoro-2-methylphenyl)-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide;[(3R,4S)-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]-4-phenylpyrrolidin-1-yl]-[4-(1,3-oxazol-2-yl)phenyl]methanone;3-methyl-2,5-diphenyl-N-[(1S)-1-phenylpropyl]imidazole-4-carboxamide
SMILESCC[C@H](NC(=O)C1CCNCC1c1ccc(F)cc1C)c1ccccc1.CC[C@H](NC(=O)c1c(-c2ccccc2)nc(-c2ccccc2)n1C)c1ccccc1.CN(Cc1ccc(C(F)(F)F)c(F)c1)[C@H]1CN(C(=O)c2ccc(-c3ncco3)cc2)C[C@@H]1c1ccccc1.Cc1ccc(CN(C)[C@H]2CN(C(=O)N3CCN(CCN(C)C)CC3)C[C@@H]2c2ccccc2)cc1F
InChIInChI=1S/C29H25F4N3O2.C28H40FN5O.C26H25N3O.C22H27FN2O/c1-35(16-19-7-12-24(25(30)15-19)29(31,32)33)26-18-36(17-23(26)20-5-3-2-4-6-20)28(37)22-10-8-21(9-11-22)27-34-13-14-38-27;1-22-10-11-23(18-26(22)29)19-31(4)27-21-34(20-25(27)24-8-6-5-7-9-24)28(35)33-16-14-32(15-17-33)13-12-30(2)3;1-3-22(19-13-7-4-8-14-19)27-26(30)24-23(20-15-9-5-10-16-20)28-25(29(24)2)21-17-11-6-12-18-21;1-3-21(16-7-5-4-6-8-16)25-22(26)19-11-12-24-14-20(19)18-10-9-17(23)13-15(18)2/h2-15,23,26H,16-18H2,1H3;5-11,18,25,27H,12-17,19-21H2,1-4H3;4-18,22H,3H2,1-2H3,(H,27,30);4-10,13,19-21,24H,3,11-12,14H2,1-2H3,(H,25,26)/t23-,26+;25-,27+;22-;19?,20?,21-/m1100/s1
InChIKeyBBBUVNLLGKKCNZ-OKTIVCJTSA-N
XLogP19.30
TPSA170.90 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds24
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001755.16
LogP ≤ 519.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[(3R,4S)-3-[(3-fluoro-4-methylphenyl)methyl-methylamino]-4-phenylpyrrolidin-1-yl]methanone;3-(4-fluoro-2-methylphenyl)-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide;[(3R,4S)-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]-4-phenylpyrrolidin-1-yl]-[4-(1,3-oxazol-2-yl)phenyl]methanone;3-methyl-2,5-diphenyl-N-[(1S)-1-phenylpropyl]imidazole-4-carboxamide with MolForge

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Related Compounds

[3-Fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90445424
(5-fluoro-2-(oxazol-2-yl)phenyl)((1S,2R,4R)-2-((5-(trifluoromethyl)pyrazin-2-yl)amino)-7-azabicyclo[2.2.1]heptan-7-yl)methanone
CID 118882370
(2-fluoro-6-(oxazol-2-yl)phenyl)((1S,2R,4R)-2-((5-(trifluoromethyl)pyrazin-2-yl)amino)-7-azabicyclo[2.2.1]heptan-7-yl)methanone
CID 118882400
N-[2-[[2-[[(2S)-1-(2,4-difluoroanilino)-1-oxo-3-(1-tritylimidazol-4-yl)propan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 46878677
(3-fluoro-2-(oxazol-2-yl)phenyl)((1S,2R,4R)-2-((5-(trifluoromethyl)pyrazin-2-yl)amino)-7-azabicyclo[2.2.1]heptan-7-yl)methanone
CID 90413339
[2-fluoro-6-(1,3-oxazol-2-yl)phenyl]-[(1S,2R,4R)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 118867990
[5-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[(1S,2R,4R)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 118868027
[4-Fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-fluoro-6-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[5-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 159827910
[3-Fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(5-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanone;[2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
CID 161458865
(3-Fluoro-2-pyrazin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(4-fluoro-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 161717446
(3-Fluoro-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 162029041
benzyl (2S)-2-[5-[5-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,3-oxazol-2-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 58516240

Frequently Asked Questions

What is the IUPAC name of [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[(3R,4S)-3-[(3-fluoro-4-methylphenyl)methyl-methylamino]-4-phenylpyrrolidin-1-yl]methanone;3-(4-fluoro-2-methylphenyl)-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide;[(3R,4S)-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]-4-phenylpyrrolidin-1-yl]-[4-(1,3-oxazol-2-yl)phenyl]methanone;3-methyl-2,5-diphenyl-N-[(1S)-1-phenylpropyl]imidazole-4-carboxamide?
The IUPAC name of [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[(3R,4S)-3-[(3-fluoro-4-methylphenyl)methyl-methylamino]-4-phenylpyrrolidin-1-yl]methanone;3-(4-fluoro-2-methylphenyl)-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide;[(3R,4S)-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]-4-phenylpyrrolidin-1-yl]-[4-(1,3-oxazol-2-yl)phenyl]methanone;3-methyl-2,5-diphenyl-N-[(1S)-1-phenylpropyl]imidazole-4-carboxamide (CID 157293598) is [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[(3R,4S)-3-[(3-fluoro-4-methylphenyl)methyl-methylamino]-4-phenylpyrrolidin-1-yl]methanone;3-(4-fluoro-2-methylphenyl)-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide;[(3R,4S)-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]-4-phenylpyrrolidin-1-yl]-[4-(1,3-oxazol-2-yl)phenyl]methanone;3-methyl-2,5-diphenyl-N-[(1S)-1-phenylpropyl]imidazole-4-carboxamide.
What is the SMILES notation for [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[(3R,4S)-3-[(3-fluoro-4-methylphenyl)methyl-methylamino]-4-phenylpyrrolidin-1-yl]methanone;3-(4-fluoro-2-methylphenyl)-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide;[(3R,4S)-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]-4-phenylpyrrolidin-1-yl]-[4-(1,3-oxazol-2-yl)phenyl]methanone;3-methyl-2,5-diphenyl-N-[(1S)-1-phenylpropyl]imidazole-4-carboxamide?
The canonical SMILES for [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[(3R,4S)-3-[(3-fluoro-4-methylphenyl)methyl-methylamino]-4-phenylpyrrolidin-1-yl]methanone;3-(4-fluoro-2-methylphenyl)-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide;[(3R,4S)-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]-4-phenylpyrrolidin-1-yl]-[4-(1,3-oxazol-2-yl)phenyl]methanone;3-methyl-2,5-diphenyl-N-[(1S)-1-phenylpropyl]imidazole-4-carboxamide is CC[C@H](NC(=O)C1CCNCC1c1ccc(F)cc1C)c1ccccc1.CC[C@H](NC(=O)c1c(-c2ccccc2)nc(-c2ccccc2)n1C)c1ccccc1.CN(Cc1ccc(C(F)(F)F)c(F)c1)[C@H]1CN(C(=O)c2ccc(-c3ncco3)cc2)C[C@@H]1c1ccccc1.Cc1ccc(CN(C)[C@H]2CN(C(=O)N3CCN(CCN(C)C)CC3)C[C@@H]2c2ccccc2)cc1F.
What is the InChIKey of [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[(3R,4S)-3-[(3-fluoro-4-methylphenyl)methyl-methylamino]-4-phenylpyrrolidin-1-yl]methanone;3-(4-fluoro-2-methylphenyl)-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide;[(3R,4S)-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]-4-phenylpyrrolidin-1-yl]-[4-(1,3-oxazol-2-yl)phenyl]methanone;3-methyl-2,5-diphenyl-N-[(1S)-1-phenylpropyl]imidazole-4-carboxamide?
The InChIKey is BBBUVNLLGKKCNZ-OKTIVCJTSA-N. The full InChI is InChI=1S/C29H25F4N3O2.C28H40FN5O.C26H25N3O.C22H27FN2O/c1-35(16-19-7-12-24(25(30)15-19)29(31,32)33)26-18-36(17-23(26)20-5-3-2-4-6-20)28(37)22-10-8-21(9-11-22)27-34-13-14-38-27;1-22-10-11-23(18-26(22)29)19-31(4)27-21-34(20-25(27)24-8-6-5-7-9-24)28(35)33-16-14-32(15-17-33)13-12-30(2)3;1-3-22(19-13-7-4-8-14-19)27-26(30)24-23(20-15-9-5-10-16-20)28-25(29(24)2)21-17-11-6-12-18-21;1-3-21(16-7-5-4-6-8-16)25-22(26)19-11-12-24-14-20(19)18-10-9-17(23)13-15(18)2/h2-15,23,26H,16-18H2,1H3;5-11,18,25,27H,12-17,19-21H2,1-4H3;4-18,22H,3H2,1-2H3,(H,27,30);4-10,13,19-21,24H,3,11-12,14H2,1-2H3,(H,25,26)/t23-,26+;25-,27+;22-;19?,20?,21-/m1100/s1.
What are the key properties of [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[(3R,4S)-3-[(3-fluoro-4-methylphenyl)methyl-methylamino]-4-phenylpyrrolidin-1-yl]methanone;3-(4-fluoro-2-methylphenyl)-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide;[(3R,4S)-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]-4-phenylpyrrolidin-1-yl]-[4-(1,3-oxazol-2-yl)phenyl]methanone;3-methyl-2,5-diphenyl-N-[(1S)-1-phenylpropyl]imidazole-4-carboxamide?
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[(3R,4S)-3-[(3-fluoro-4-methylphenyl)methyl-methylamino]-4-phenylpyrrolidin-1-yl]methanone;3-(4-fluoro-2-methylphenyl)-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide;[(3R,4S)-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]-4-phenylpyrrolidin-1-yl]-[4-(1,3-oxazol-2-yl)phenyl]methanone;3-methyl-2,5-diphenyl-N-[(1S)-1-phenylpropyl]imidazole-4-carboxamide has a molecular weight of 1755.16 g/mol, XLogP of 19.30, 24 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[(3R,4S)-3-[(3-fluoro-4-methylphenyl)methyl-methylamino]-4-phenylpyrrolidin-1-yl]methanone;3-(4-fluoro-2-methylphenyl)-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide;[(3R,4S)-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]-4-phenylpyrrolidin-1-yl]-[4-(1,3-oxazol-2-yl)phenyl]methanone;3-methyl-2,5-diphenyl-N-[(1S)-1-phenylpropyl]imidazole-4-carboxamide is sourced from PubChem (CID 157293598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).