tert-butyl 4-[2-[1-[acetyl(methyl)amino]ethyl]-5-chloro-4-methylphenyl]piperazine-1-carboxylate;N-[1-[2-[4-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]piperazin-1-yl]-4-chloro-5-methylphenyl]ethyl]-N-methylacetamide;(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylic acid;yttrium

C67H92Cl2F4N8O7Y — CID 160993154

About tert-butyl 4-[2-[1-[acetyl(methyl)amino]ethyl]-5-chloro-4-methylphenyl]piperazine-1-carboxylate;N-[1-[2-[4-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]piperazin-1-yl]-4-chloro-5-methylphenyl]ethyl]-N-methylacetamide;(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylic acid;yttrium

tert-butyl 4-[2-[1-[acetyl(methyl)amino]ethyl]-5-chloro-4-methylphenyl]piperazine-1-carboxylate;N-[1-[2-[4-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]piperazin-1-yl]-4-chloro-5-methylphenyl]ethyl]-N-methylacetamide;(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylic acid;yttrium (PubChem CID 160993154) has the molecular formula C67H92Cl2F4N8O7Y and a molecular weight of 1357.33 g/mol. Its IUPAC name is tert-butyl 4-[2-[1-[acetyl(methyl)amino]ethyl]-5-chloro-4-methylphenyl]piperazine-1-carboxylate;N-[1-[2-[4-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]piperazin-1-yl]-4-chloro-5-methylphenyl]ethyl]-N-methylacetamide;(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylic acid;yttrium.

Molecular Properties

• Compound Name: tert-butyl 4-[2-[1-[acetyl(methyl)amino]ethyl]-5-chloro-4-methylphenyl]piperazine-1-carboxylate;N-[1-[2-[4-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]piperazin-1-yl]-4-chloro-5-methylphenyl]ethyl]-N-methylacetamide;(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylic acid;yttrium
• PubChem CID: 160993154
• Molecular Formula: C67H92Cl2F4N8O7Y
• Molecular Weight: 1357.33 g/mol
• Exact Mass: 1355.55
• IUPAC Name: tert-butyl 4-[2-[1-[acetyl(methyl)amino]ethyl]-5-chloro-4-methylphenyl]piperazine-1-carboxylate;N-[1-[2-[4-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]piperazin-1-yl]-4-chloro-5-methylphenyl]ethyl]-N-methylacetamide;(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylic acid;yttrium
• SMILES: CC(=O)N(C)C(C)c1cc(C)c(Cl)cc1N1CCN(C(=O)OC(C)(C)C)CC1.CC(=O)N(C)C(C)c1cc(C)c(Cl)cc1N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1.CC(C)(C)N1C[C@@H](C(=O)O)[C@H](c2ccc(F)cc2F)C1.[Y]
• InChI: InChI=1S/C31H41ClF2N4O2.C21H32ClN3O3.C15H19F2NO2.Y/c1-19-14-24(20(2)35(7)21(3)39)29(16-27(19)32)36-10-12-37(13-11-36)30(40)26-18-38(31(4,5)6)17-25(26)23-9-8-22(33)15-28(23)34;1-14-12-17(15(2)23(7)16(3)26)19(13-18(14)22)24-8-10-25(11-9-24)20(27)28-21(4,5)6;1-15(2,3)18-7-11(12(8-18)14(19)20)10-5-4-9(16)6-13(10)17;/h8-9,14-16,20,25-26H,10-13,17-18H2,1-7H3;12-13,15H,8-11H2,1-7H3;4-6,11-12H,7-8H2,1-3H3,(H,19,20);/t20?,25-,26+;;11-,12+;/m0.0./s1
• InChIKey: ZLYKPNSKPKFIGJ-CLQFLYKXSA-N
• XLogP: 12.73
• TPSA: 140.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1357.33
LogP ≤ 5	12.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[1-[acetyl(methyl)amino]ethyl]-5-chloro-4-methylphenyl]piperazine-1-carboxylate;N-[1-[2-[4-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]piperazin-1-yl]-4-chloro-5-methylphenyl]ethyl]-N-methylacetamide;(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylic acid;yttrium?

The IUPAC name of tert-butyl 4-[2-[1-[acetyl(methyl)amino]ethyl]-5-chloro-4-methylphenyl]piperazine-1-carboxylate;N-[1-[2-[4-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]piperazin-1-yl]-4-chloro-5-methylphenyl]ethyl]-N-methylacetamide;(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylic acid;yttrium (CID 160993154) is tert-butyl 4-[2-[1-[acetyl(methyl)amino]ethyl]-5-chloro-4-methylphenyl]piperazine-1-carboxylate;N-[1-[2-[4-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]piperazin-1-yl]-4-chloro-5-methylphenyl]ethyl]-N-methylacetamide;(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylic acid;yttrium.

What is the SMILES notation for tert-butyl 4-[2-[1-[acetyl(methyl)amino]ethyl]-5-chloro-4-methylphenyl]piperazine-1-carboxylate;N-[1-[2-[4-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]piperazin-1-yl]-4-chloro-5-methylphenyl]ethyl]-N-methylacetamide;(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylic acid;yttrium?

The canonical SMILES for tert-butyl 4-[2-[1-[acetyl(methyl)amino]ethyl]-5-chloro-4-methylphenyl]piperazine-1-carboxylate;N-[1-[2-[4-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]piperazin-1-yl]-4-chloro-5-methylphenyl]ethyl]-N-methylacetamide;(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylic acid;yttrium is CC(=O)N(C)C(C)c1cc(C)c(Cl)cc1N1CCN(C(=O)OC(C)(C)C)CC1.CC(=O)N(C)C(C)c1cc(C)c(Cl)cc1N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1.CC(C)(C)N1C[C@@H](C(=O)O)[C@H](c2ccc(F)cc2F)C1.[Y].

What is the InChIKey of tert-butyl 4-[2-[1-[acetyl(methyl)amino]ethyl]-5-chloro-4-methylphenyl]piperazine-1-carboxylate;N-[1-[2-[4-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]piperazin-1-yl]-4-chloro-5-methylphenyl]ethyl]-N-methylacetamide;(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylic acid;yttrium?

The InChIKey is ZLYKPNSKPKFIGJ-CLQFLYKXSA-N. The full InChI is InChI=1S/C31H41ClF2N4O2.C21H32ClN3O3.C15H19F2NO2.Y/c1-19-14-24(20(2)35(7)21(3)39)29(16-27(19)32)36-10-12-37(13-11-36)30(40)26-18-38(31(4,5)6)17-25(26)23-9-8-22(33)15-28(23)34;1-14-12-17(15(2)23(7)16(3)26)19(13-18(14)22)24-8-10-25(11-9-24)20(27)28-21(4,5)6;1-15(2,3)18-7-11(12(8-18)14(19)20)10-5-4-9(16)6-13(10)17;/h8-9,14-16,20,25-26H,10-13,17-18H2,1-7H3;12-13,15H,8-11H2,1-7H3;4-6,11-12H,7-8H2,1-3H3,(H,19,20);/t20?,25-,26+;;11-,12+;/m0.0./s1.

What are the key properties of tert-butyl 4-[2-[1-[acetyl(methyl)amino]ethyl]-5-chloro-4-methylphenyl]piperazine-1-carboxylate;N-[1-[2-[4-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]piperazin-1-yl]-4-chloro-5-methylphenyl]ethyl]-N-methylacetamide;(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylic acid;yttrium?

tert-butyl 4-[2-[1-[acetyl(methyl)amino]ethyl]-5-chloro-4-methylphenyl]piperazine-1-carboxylate;N-[1-[2-[4-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]piperazin-1-yl]-4-chloro-5-methylphenyl]ethyl]-N-methylacetamide;(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylic acid;yttrium has a molecular weight of 1357.33 g/mol, XLogP of 12.73, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[2-[1-[acetyl(methyl)amino]ethyl]-5-chloro-4-methylphenyl]piperazine-1-carboxylate;N-[1-[2-[4-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]piperazin-1-yl]-4-chloro-5-methylphenyl]ethyl]-N-methylacetamide;(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylic acid;yttrium is sourced from PubChem (CID 160993154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).