(4-amino-3,3-dimethylpiperidin-1-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone;(4-amino-3-methylpiperidin-1-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone;1-[(3S,5R)-3-(2-chloroethyl)-5-phenyl-1-adamantyl]-2-(3,3-difluoropiperidin-4-yl)ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]ethanone

C150H202ClF9N8O7 — CID 161495277

About (4-amino-3,3-dimethylpiperidin-1-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone;(4-amino-3-methylpiperidin-1-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone;1-[(3S,5R)-3-(2-chloroethyl)-5-phenyl-1-adamantyl]-2-(3,3-difluoropiperidin-4-yl)ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]ethanone

(4-amino-3,3-dimethylpiperidin-1-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone;(4-amino-3-methylpiperidin-1-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone;1-[(3S,5R)-3-(2-chloroethyl)-5-phenyl-1-adamantyl]-2-(3,3-difluoropiperidin-4-yl)ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]ethanone (PubChem CID 161495277) has the molecular formula C150H202ClF9N8O7 and a molecular weight of 2435.75 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone;(4-amino-3-methylpiperidin-1-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone;1-[(3S,5R)-3-(2-chloroethyl)-5-phenyl-1-adamantyl]-2-(3,3-difluoropiperidin-4-yl)ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]ethanone.

Molecular Properties

• Compound Name: (4-amino-3,3-dimethylpiperidin-1-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone;(4-amino-3-methylpiperidin-1-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone;1-[(3S,5R)-3-(2-chloroethyl)-5-phenyl-1-adamantyl]-2-(3,3-difluoropiperidin-4-yl)ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]ethanone
• PubChem CID: 161495277
• Molecular Formula: C150H202ClF9N8O7
• Molecular Weight: 2435.75 g/mol
• Exact Mass: 2433.52
• IUPAC Name: (4-amino-3,3-dimethylpiperidin-1-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone;(4-amino-3-methylpiperidin-1-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone;1-[(3S,5R)-3-(2-chloroethyl)-5-phenyl-1-adamantyl]-2-(3,3-difluoropiperidin-4-yl)ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]ethanone
• SMILES: CC1(C)CN(C(=O)C23CC4C[C@@](C)(C2)C[C@](c2ccccc2)(C4)C3)CCC1N.CC1CN(C(=O)C23CC4C[C@@](C)(C2)C[C@](c2ccccc2)(C4)C3)CCC1N.CCC[C@]12CC3CC(C(=O)CC4CCNCC4(F)F)(C1)C[C@@](c1ccccc1)(C3)C2.CCOC[C@]12CC3CC(C(=O)CC4CCNCC4(F)F)(C1)C[C@@](c1ccccc1)(C3)C2.O=C(CC1CCNCC1(F)F)C12CC3C[C@@](CCCl)(C1)C[C@](c1ccccc1)(C3)C2.O=C(CC1CCNCC1(F)F)C12CC3C[C@@](CF)(C1)C[C@](c1ccccc1)(C3)C2
• InChI: InChI=1S/C26H35F2NO2.C26H35F2NO.C25H32ClF2NO.C25H36N2O.C24H30F3NO.C24H34N2O/c1-2-31-18-23-11-19-12-24(14-23,20-6-4-3-5-7-20)16-25(13-19,15-23)22(30)10-21-8-9-29-17-26(21,27)28;1-2-9-23-12-19-13-24(15-23,20-6-4-3-5-7-20)17-25(14-19,16-23)22(30)11-21-8-10-29-18-26(21,27)28;26-8-7-22-11-18-12-23(14-22,19-4-2-1-3-5-19)16-24(13-18,15-22)21(30)10-20-6-9-29-17-25(20,27)28;1-22(2)17-27(10-9-20(22)26)21(28)25-13-18-11-23(3,15-25)14-24(12-18,16-25)19-7-5-4-6-8-19;25-15-21-9-17-10-22(12-21,18-4-2-1-3-5-18)14-23(11-17,13-21)20(29)8-19-6-7-28-16-24(19,26)27;1-17-13-26(9-8-20(17)25)21(27)24-12-18-10-22(2,15-24)14-23(11-18,16-24)19-6-4-3-5-7-19/h3-7,19,21,29H,2,8-18H2,1H3;3-7,19,21,29H,2,8-18H2,1H3;1-5,18,20,29H,6-17H2;4-8,18,20H,9-17,26H2,1-3H3;1-5,17,19,28H,6-16H2;3-7,17-18,20H,8-16,25H2,1-2H3/t19?,21?,23-,24+,25?;19?,21?,23-,24-,25?;18?,20?,22-,23-,24?;18?,20?,23-,24-,25?;17?,19?,21-,22+,23?;17?,18?,20?,22-,23-,24?/m011101/s1
• InChIKey: WGCPKRNOLPUTAI-YHHQUAGDSA-N
• XLogP: 30.44
• TPSA: 218.29 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 28
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2435.75
LogP ≤ 5	30.44
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone;(4-amino-3-methylpiperidin-1-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone;1-[(3S,5R)-3-(2-chloroethyl)-5-phenyl-1-adamantyl]-2-(3,3-difluoropiperidin-4-yl)ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]ethanone?

The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone;(4-amino-3-methylpiperidin-1-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone;1-[(3S,5R)-3-(2-chloroethyl)-5-phenyl-1-adamantyl]-2-(3,3-difluoropiperidin-4-yl)ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]ethanone (CID 161495277) is (4-amino-3,3-dimethylpiperidin-1-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone;(4-amino-3-methylpiperidin-1-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone;1-[(3S,5R)-3-(2-chloroethyl)-5-phenyl-1-adamantyl]-2-(3,3-difluoropiperidin-4-yl)ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]ethanone.

What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone;(4-amino-3-methylpiperidin-1-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone;1-[(3S,5R)-3-(2-chloroethyl)-5-phenyl-1-adamantyl]-2-(3,3-difluoropiperidin-4-yl)ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]ethanone?

The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone;(4-amino-3-methylpiperidin-1-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone;1-[(3S,5R)-3-(2-chloroethyl)-5-phenyl-1-adamantyl]-2-(3,3-difluoropiperidin-4-yl)ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]ethanone is CC1(C)CN(C(=O)C23CC4C[C@@](C)(C2)C[C@](c2ccccc2)(C4)C3)CCC1N.CC1CN(C(=O)C23CC4C[C@@](C)(C2)C[C@](c2ccccc2)(C4)C3)CCC1N.CCC[C@]12CC3CC(C(=O)CC4CCNCC4(F)F)(C1)C[C@@](c1ccccc1)(C3)C2.CCOC[C@]12CC3CC(C(=O)CC4CCNCC4(F)F)(C1)C[C@@](c1ccccc1)(C3)C2.O=C(CC1CCNCC1(F)F)C12CC3C[C@@](CCCl)(C1)C[C@](c1ccccc1)(C3)C2.O=C(CC1CCNCC1(F)F)C12CC3C[C@@](CF)(C1)C[C@](c1ccccc1)(C3)C2.

What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone;(4-amino-3-methylpiperidin-1-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone;1-[(3S,5R)-3-(2-chloroethyl)-5-phenyl-1-adamantyl]-2-(3,3-difluoropiperidin-4-yl)ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]ethanone?

The InChIKey is WGCPKRNOLPUTAI-YHHQUAGDSA-N. The full InChI is InChI=1S/C26H35F2NO2.C26H35F2NO.C25H32ClF2NO.C25H36N2O.C24H30F3NO.C24H34N2O/c1-2-31-18-23-11-19-12-24(14-23,20-6-4-3-5-7-20)16-25(13-19,15-23)22(30)10-21-8-9-29-17-26(21,27)28;1-2-9-23-12-19-13-24(15-23,20-6-4-3-5-7-20)17-25(14-19,16-23)22(30)11-21-8-10-29-18-26(21,27)28;26-8-7-22-11-18-12-23(14-22,19-4-2-1-3-5-19)16-24(13-18,15-22)21(30)10-20-6-9-29-17-25(20,27)28;1-22(2)17-27(10-9-20(22)26)21(28)25-13-18-11-23(3,15-25)14-24(12-18,16-25)19-7-5-4-6-8-19;25-15-21-9-17-10-22(12-21,18-4-2-1-3-5-18)14-23(11-17,13-21)20(29)8-19-6-7-28-16-24(19,26)27;1-17-13-26(9-8-20(17)25)21(27)24-12-18-10-22(2,15-24)14-23(11-18,16-24)19-6-4-3-5-7-19/h3-7,19,21,29H,2,8-18H2,1H3;3-7,19,21,29H,2,8-18H2,1H3;1-5,18,20,29H,6-17H2;4-8,18,20H,9-17,26H2,1-3H3;1-5,17,19,28H,6-16H2;3-7,17-18,20H,8-16,25H2,1-2H3/t19?,21?,23-,24+,25?;19?,21?,23-,24-,25?;18?,20?,22-,23-,24?;18?,20?,23-,24-,25?;17?,19?,21-,22+,23?;17?,18?,20?,22-,23-,24?/m011101/s1.

What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone;(4-amino-3-methylpiperidin-1-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone;1-[(3S,5R)-3-(2-chloroethyl)-5-phenyl-1-adamantyl]-2-(3,3-difluoropiperidin-4-yl)ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]ethanone?

(4-amino-3,3-dimethylpiperidin-1-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone;(4-amino-3-methylpiperidin-1-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone;1-[(3S,5R)-3-(2-chloroethyl)-5-phenyl-1-adamantyl]-2-(3,3-difluoropiperidin-4-yl)ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]ethanone has a molecular weight of 2435.75 g/mol, XLogP of 30.44, 28 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (4-amino-3,3-dimethylpiperidin-1-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone;(4-amino-3-methylpiperidin-1-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone;1-[(3S,5R)-3-(2-chloroethyl)-5-phenyl-1-adamantyl]-2-(3,3-difluoropiperidin-4-yl)ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]ethanone;2-(3,3-difluoropiperidin-4-yl)-1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]ethanone is sourced from PubChem (CID 161495277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).