2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-N,N-dimethylacetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]acetamide;methyl 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetate;2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide

C123H150F6N16O10 — CID 158482357

About 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-N,N-dimethylacetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]acetamide;methyl 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetate;2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide

2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-N,N-dimethylacetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]acetamide;methyl 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetate;2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide (PubChem CID 158482357) has the molecular formula C123H150F6N16O10 and a molecular weight of 2126.64 g/mol. Its IUPAC name is 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-N,N-dimethylacetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]acetamide;methyl 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetate;2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide.

Molecular Properties

• Compound Name: 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-N,N-dimethylacetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]acetamide;methyl 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetate;2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide
• PubChem CID: 158482357
• Molecular Formula: C123H150F6N16O10
• Molecular Weight: 2126.64 g/mol
• Exact Mass: 2125.16
• IUPAC Name: 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-N,N-dimethylacetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]acetamide;methyl 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetate;2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide
• SMILES: COC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(C)c(F)c(F)c2)CC1.COc1ccc(C2CCC(NC(C(N)=O)C3CCN(C(=O)/C=C/c4cc(C)c(F)c(F)c4)CC3)CC2)cn1.Cc1cc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(=O)N(C)C)CC2)cc(F)c1F.Cc1cccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5cccnc45)CC3)C(N)=O)CC2)c1
• InChI: InChI=1S/C33H40F2N4O2.C32H37F2N3O3.C29H36F2N4O3.C29H37N5O2/c1-21-18-22(19-28(34)31(21)35)8-13-30(40)39-16-14-24(15-17-39)32(33(41)38(2)3)37-25-11-9-23(10-12-25)27-20-36-29-7-5-4-6-26(27)29;1-20-17-21(18-27(33)30(20)34)7-12-29(38)37-15-13-23(14-16-37)31(32(39)40-2)36-24-10-8-22(9-11-24)26-19-35-28-6-4-3-5-25(26)28;1-18-15-19(16-24(30)27(18)31)3-10-26(36)35-13-11-21(12-14-35)28(29(32)37)34-23-7-4-20(5-8-23)22-6-9-25(38-2)33-17-22;1-19-4-2-5-20(16-19)17-26(35)34-14-11-22(12-15-34)27(29(30)36)33-23-9-7-21(8-10-23)24-18-32-25-6-3-13-31-28(24)25/h4-8,13,18-20,23-25,32,36-37H,9-12,14-17H2,1-3H3;3-7,12,17-19,22-24,31,35-36H,8-11,13-16H2,1-2H3;3,6,9-10,15-17,20-21,23,28,34H,4-5,7-8,11-14H2,1-2H3,(H2,32,37);2-6,13,16,18,21-23,27,32-33H,7-12,14-15,17H2,1H3,(H2,30,36)/b13-8+;12-7+;10-3+
• InChIKey: HHRBXXRQYDPFJZ-FFMJWHATSA-N
• XLogP: 19.56
• TPSA: 344.53 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 16
• Rotatable Bonds: 29
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2126.64
LogP ≤ 5	19.56
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-N,N-dimethylacetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]acetamide;methyl 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetate;2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide?

The IUPAC name of 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-N,N-dimethylacetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]acetamide;methyl 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetate;2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide (CID 158482357) is 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-N,N-dimethylacetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]acetamide;methyl 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetate;2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide.

What is the SMILES notation for 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-N,N-dimethylacetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]acetamide;methyl 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetate;2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide?

The canonical SMILES for 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-N,N-dimethylacetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]acetamide;methyl 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetate;2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide is COC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(C)c(F)c(F)c2)CC1.COc1ccc(C2CCC(NC(C(N)=O)C3CCN(C(=O)/C=C/c4cc(C)c(F)c(F)c4)CC3)CC2)cn1.Cc1cc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(=O)N(C)C)CC2)cc(F)c1F.Cc1cccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5cccnc45)CC3)C(N)=O)CC2)c1.

What is the InChIKey of 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-N,N-dimethylacetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]acetamide;methyl 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetate;2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide?

The InChIKey is HHRBXXRQYDPFJZ-FFMJWHATSA-N. The full InChI is InChI=1S/C33H40F2N4O2.C32H37F2N3O3.C29H36F2N4O3.C29H37N5O2/c1-21-18-22(19-28(34)31(21)35)8-13-30(40)39-16-14-24(15-17-39)32(33(41)38(2)3)37-25-11-9-23(10-12-25)27-20-36-29-7-5-4-6-26(27)29;1-20-17-21(18-27(33)30(20)34)7-12-29(38)37-15-13-23(14-16-37)31(32(39)40-2)36-24-10-8-22(9-11-24)26-19-35-28-6-4-3-5-25(26)28;1-18-15-19(16-24(30)27(18)31)3-10-26(36)35-13-11-21(12-14-35)28(29(32)37)34-23-7-4-20(5-8-23)22-6-9-25(38-2)33-17-22;1-19-4-2-5-20(16-19)17-26(35)34-14-11-22(12-15-34)27(29(30)36)33-23-9-7-21(8-10-23)24-18-32-25-6-3-13-31-28(24)25/h4-8,13,18-20,23-25,32,36-37H,9-12,14-17H2,1-3H3;3-7,12,17-19,22-24,31,35-36H,8-11,13-16H2,1-2H3;3,6,9-10,15-17,20-21,23,28,34H,4-5,7-8,11-14H2,1-2H3,(H2,32,37);2-6,13,16,18,21-23,27,32-33H,7-12,14-15,17H2,1H3,(H2,30,36)/b13-8+;12-7+;10-3+;.

What are the key properties of 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-N,N-dimethylacetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]acetamide;methyl 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetate;2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide?

2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-N,N-dimethylacetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]acetamide;methyl 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetate;2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide has a molecular weight of 2126.64 g/mol, XLogP of 19.56, 29 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-N,N-dimethylacetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]acetamide;methyl 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetate;2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide is sourced from PubChem (CID 158482357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).