1-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(tert-butylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-2-one;4-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperazine-1-carboxamide;1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide;N-tert-butyl-3-(1-tert-butylpiperidin-4-yl)propanamide;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-1-one;6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-2-one;1-(1-tert-butylpiperidin-4-yl)-6,6-dimethylheptane-2,4-dione

C142H281N21O12 — CID 162198793

About 1-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(tert-butylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-2-one;4-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperazine-1-carboxamide;1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide;N-tert-butyl-3-(1-tert-butylpiperidin-4-yl)propanamide;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-1-one;6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-2-one;1-(1-tert-butylpiperidin-4-yl)-6,6-dimethylheptane-2,4-dione

1-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(tert-butylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-2-one;4-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperazine-1-carboxamide;1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide;N-tert-butyl-3-(1-tert-butylpiperidin-4-yl)propanamide;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-1-one;6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-2-one;1-(1-tert-butylpiperidin-4-yl)-6,6-dimethylheptane-2,4-dione (PubChem CID 162198793) has the molecular formula C142H281N21O12 and a molecular weight of 2474.94 g/mol. Its IUPAC name is 1-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(tert-butylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-2-one;4-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperazine-1-carboxamide;1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide;N-tert-butyl-3-(1-tert-butylpiperidin-4-yl)propanamide;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-1-one;6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-2-one;1-(1-tert-butylpiperidin-4-yl)-6,6-dimethylheptane-2,4-dione.

Molecular Properties

• Compound Name: 1-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(tert-butylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-2-one;4-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperazine-1-carboxamide;1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide;N-tert-butyl-3-(1-tert-butylpiperidin-4-yl)propanamide;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-1-one;6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-2-one;1-(1-tert-butylpiperidin-4-yl)-6,6-dimethylheptane-2,4-dione
• PubChem CID: 162198793
• Molecular Formula: C142H281N21O12
• Molecular Weight: 2474.94 g/mol
• Exact Mass: 2473.20
• IUPAC Name: 1-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(tert-butylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-2-one;4-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperazine-1-carboxamide;1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide;N-tert-butyl-3-(1-tert-butylpiperidin-4-yl)propanamide;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-1-one;6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-2-one;1-(1-tert-butylpiperidin-4-yl)-6,6-dimethylheptane-2,4-dione
• SMILES: CC(C)(C)C(=O)CCCN1CCN(C(C)(C)C)CC1.CC(C)(C)CC(=O)CC(=O)CC1CCN(C(C)(C)C)CC1.CC(C)(C)CC(=O)CN1CCC(NC(C)(C)C)C1.CC(C)(C)CC(=O)CN1CCN(C(C)(C)C)CC1.CC(C)(C)CC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)NC(=O)CCC1CCN(C(C)(C)C)CC1.CC(C)(C)NC(=O)CCNC(=O)C1CCN(C(C)(C)C)CC1.CC(C)(C)NC(=O)CCNC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)NCCN1CCN(C(=O)C(C)(C)C)CC1
• InChI: InChI=1S/C18H33NO2.C17H33N3O2.C16H32N4O2.2C16H32N2O.C15H31N3O.2C15H30N2O.C14H28N2O/c1-17(2,3)13-16(21)12-15(20)11-14-7-9-19(10-8-14)18(4,5)6;1-16(2,3)19-14(21)7-10-18-15(22)13-8-11-20(12-9-13)17(4,5)6;1-15(2,3)18-13(21)7-8-17-14(22)19-9-11-20(12-10-19)16(4,5)6;1-15(2,3)17-14(19)8-7-13-9-11-18(12-10-13)16(4,5)6;1-15(2,3)14(19)8-7-9-17-10-12-18(13-11-17)16(4,5)6;1-14(2,3)13(19)18-11-9-17(10-12-18)8-7-16-15(4,5)6;1-14(2,3)11-13(18)12-16-7-9-17(10-8-16)15(4,5)6;1-14(2,3)9-13(18)11-17-8-7-12(10-17)16-15(4,5)6;1-13(2,3)11-12(17)15-7-9-16(10-8-15)14(4,5)6/h14H,7-13H2,1-6H3;13H,7-12H2,1-6H3,(H,18,22)(H,19,21);7-12H2,1-6H3,(H,17,22)(H,18,21);13H,7-12H2,1-6H3,(H,17,19);7-13H2,1-6H3;16H,7-12H2,1-6H3;7-12H2,1-6H3;12,16H,7-11H2,1-6H3;7-11H2,1-6H3
• InChIKey: ZRHNIWBVXLJQII-UHFFFAOYSA-N
• XLogP: 21.97
• TPSA: 334.41 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 30
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2474.94
LogP ≤ 5	21.97
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(tert-butylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-2-one;4-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperazine-1-carboxamide;1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide;N-tert-butyl-3-(1-tert-butylpiperidin-4-yl)propanamide;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-1-one;6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-2-one;1-(1-tert-butylpiperidin-4-yl)-6,6-dimethylheptane-2,4-dione?

The IUPAC name of 1-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(tert-butylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-2-one;4-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperazine-1-carboxamide;1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide;N-tert-butyl-3-(1-tert-butylpiperidin-4-yl)propanamide;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-1-one;6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-2-one;1-(1-tert-butylpiperidin-4-yl)-6,6-dimethylheptane-2,4-dione (CID 162198793) is 1-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(tert-butylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-2-one;4-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperazine-1-carboxamide;1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide;N-tert-butyl-3-(1-tert-butylpiperidin-4-yl)propanamide;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-1-one;6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-2-one;1-(1-tert-butylpiperidin-4-yl)-6,6-dimethylheptane-2,4-dione.

What is the SMILES notation for 1-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(tert-butylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-2-one;4-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperazine-1-carboxamide;1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide;N-tert-butyl-3-(1-tert-butylpiperidin-4-yl)propanamide;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-1-one;6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-2-one;1-(1-tert-butylpiperidin-4-yl)-6,6-dimethylheptane-2,4-dione?

The canonical SMILES for 1-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(tert-butylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-2-one;4-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperazine-1-carboxamide;1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide;N-tert-butyl-3-(1-tert-butylpiperidin-4-yl)propanamide;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-1-one;6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-2-one;1-(1-tert-butylpiperidin-4-yl)-6,6-dimethylheptane-2,4-dione is CC(C)(C)C(=O)CCCN1CCN(C(C)(C)C)CC1.CC(C)(C)CC(=O)CC(=O)CC1CCN(C(C)(C)C)CC1.CC(C)(C)CC(=O)CN1CCC(NC(C)(C)C)C1.CC(C)(C)CC(=O)CN1CCN(C(C)(C)C)CC1.CC(C)(C)CC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)NC(=O)CCC1CCN(C(C)(C)C)CC1.CC(C)(C)NC(=O)CCNC(=O)C1CCN(C(C)(C)C)CC1.CC(C)(C)NC(=O)CCNC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)NCCN1CCN(C(=O)C(C)(C)C)CC1.

What is the InChIKey of 1-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(tert-butylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-2-one;4-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperazine-1-carboxamide;1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide;N-tert-butyl-3-(1-tert-butylpiperidin-4-yl)propanamide;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-1-one;6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-2-one;1-(1-tert-butylpiperidin-4-yl)-6,6-dimethylheptane-2,4-dione?

The InChIKey is ZRHNIWBVXLJQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2.C17H33N3O2.C16H32N4O2.2C16H32N2O.C15H31N3O.2C15H30N2O.C14H28N2O/c1-17(2,3)13-16(21)12-15(20)11-14-7-9-19(10-8-14)18(4,5)6;1-16(2,3)19-14(21)7-10-18-15(22)13-8-11-20(12-9-13)17(4,5)6;1-15(2,3)18-13(21)7-8-17-14(22)19-9-11-20(12-10-19)16(4,5)6;1-15(2,3)17-14(19)8-7-13-9-11-18(12-10-13)16(4,5)6;1-15(2,3)14(19)8-7-9-17-10-12-18(13-11-17)16(4,5)6;1-14(2,3)13(19)18-11-9-17(10-12-18)8-7-16-15(4,5)6;1-14(2,3)11-13(18)12-16-7-9-17(10-8-16)15(4,5)6;1-14(2,3)9-13(18)11-17-8-7-12(10-17)16-15(4,5)6;1-13(2,3)11-12(17)15-7-9-16(10-8-15)14(4,5)6/h14H,7-13H2,1-6H3;13H,7-12H2,1-6H3,(H,18,22)(H,19,21);7-12H2,1-6H3,(H,17,22)(H,18,21);13H,7-12H2,1-6H3,(H,17,19);7-13H2,1-6H3;16H,7-12H2,1-6H3;7-12H2,1-6H3;12,16H,7-11H2,1-6H3;7-11H2,1-6H3.

What are the key properties of 1-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(tert-butylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-2-one;4-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperazine-1-carboxamide;1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide;N-tert-butyl-3-(1-tert-butylpiperidin-4-yl)propanamide;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-1-one;6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-2-one;1-(1-tert-butylpiperidin-4-yl)-6,6-dimethylheptane-2,4-dione?

1-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(tert-butylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-2-one;4-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperazine-1-carboxamide;1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide;N-tert-butyl-3-(1-tert-butylpiperidin-4-yl)propanamide;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-1-one;6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-2-one;1-(1-tert-butylpiperidin-4-yl)-6,6-dimethylheptane-2,4-dione has a molecular weight of 2474.94 g/mol, XLogP of 21.97, 30 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(tert-butylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-2-one;4-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperazine-1-carboxamide;1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide;N-tert-butyl-3-(1-tert-butylpiperidin-4-yl)propanamide;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-1-one;6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-2-one;1-(1-tert-butylpiperidin-4-yl)-6,6-dimethylheptane-2,4-dione is sourced from PubChem (CID 162198793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).