1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);N-[(3R)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N,1-ditert-butylpiperidin-4-amine;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide;2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate;2,2-dimethylpropyl 4-tert-butylpiperidine-1-carboxylate

C117H232N12O11 — CID 159012211

IUPAC1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);N-[(3R)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N,1-ditert-butylpiperidin-4-amine;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide;2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate;2,2-dimethylpropyl 4-tert-butylpiperidine-1-carboxylate
SMILESCC(C)(C)CC(=O)CN1CCC(C(C)(C)C)CC1.CC(C)(C)CCC(=O)N[C@@H]1CCN(C(C)(C)C)C1.CC(C)(C)COC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)COC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)NC1CCN(C(C)(C)C)CC1.CC(C)(C)OCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)OCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)N1CC[C@H](NC(=O)CCC(C)(C)C)C1
InChIInChI=1S/C16H31NO.C15H30N2O.3C15H29NO2.C14H28N2O2.C14H28N2O.C13H28N2/c1-15(2,3)11-14(18)12-17-9-7-13(8-10-17)16(4,5)6;1-14(2,3)9-7-13(18)16-12-8-10-17(11-12)15(4,5)6;1-14(2,3)11-18-13(17)16-9-7-12(8-10-16)15(4,5)6;2*1-14(2,3)12-7-9-16(10-8-12)13(17)11-18-15(4,5)6;1-13(2,3)11-18-12(17)15-7-9-16(10-8-15)14(4,5)6;1-11(2)16-9-7-12(10-16)15-13(17)6-8-14(3,4)5;1-12(2,3)14-11-7-9-15(10-8-11)13(4,5)6/h13H,7-12H2,1-6H3;12H,7-11H2,1-6H3,(H,16,18);3*12H,7-11H2,1-6H3;7-11H2,1-6H3;11-12H,6-10H2,1-5H3,(H,15,17);11,14H,7-10H2,1-6H3/t;12-;;;;;12-;/m.1....0./s1
InChIKeyJSQDRSXOPCZDCL-JPCYHHRLSA-N
MW1983.22 g/mol
LogP24.29
Rot. Bonds17

About 1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);N-[(3R)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N,1-ditert-butylpiperidin-4-amine;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide;2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate;2,2-dimethylpropyl 4-tert-butylpiperidine-1-carboxylate

1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);N-[(3R)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N,1-ditert-butylpiperidin-4-amine;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide;2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate;2,2-dimethylpropyl 4-tert-butylpiperidine-1-carboxylate (PubChem CID 159012211) has the molecular formula C117H232N12O11 and a molecular weight of 1983.22 g/mol. Its IUPAC name is 1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);N-[(3R)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N,1-ditert-butylpiperidin-4-amine;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide;2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate;2,2-dimethylpropyl 4-tert-butylpiperidine-1-carboxylate.

Molecular Properties

Compound Name1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);N-[(3R)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N,1-ditert-butylpiperidin-4-amine;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide;2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate;2,2-dimethylpropyl 4-tert-butylpiperidine-1-carboxylate
PubChem CID159012211
Molecular FormulaC117H232N12O11
Molecular Weight1983.22 g/mol
Exact Mass1981.80
IUPAC Name1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);N-[(3R)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N,1-ditert-butylpiperidin-4-amine;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide;2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate;2,2-dimethylpropyl 4-tert-butylpiperidine-1-carboxylate
SMILESCC(C)(C)CC(=O)CN1CCC(C(C)(C)C)CC1.CC(C)(C)CCC(=O)N[C@@H]1CCN(C(C)(C)C)C1.CC(C)(C)COC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)COC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)NC1CCN(C(C)(C)C)CC1.CC(C)(C)OCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)OCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)N1CC[C@H](NC(=O)CCC(C)(C)C)C1
InChIInChI=1S/C16H31NO.C15H30N2O.3C15H29NO2.C14H28N2O2.C14H28N2O.C13H28N2/c1-15(2,3)11-14(18)12-17-9-7-13(8-10-17)16(4,5)6;1-14(2,3)9-7-13(18)16-12-8-10-17(11-12)15(4,5)6;1-14(2,3)11-18-13(17)16-9-7-12(8-10-16)15(4,5)6;2*1-14(2,3)12-7-9-16(10-8-12)13(17)11-18-15(4,5)6;1-13(2,3)11-18-12(17)15-7-9-16(10-8-15)14(4,5)6;1-11(2)16-9-7-12(10-16)15-13(17)6-8-14(3,4)5;1-12(2,3)14-11-7-9-15(10-8-11)13(4,5)6/h13H,7-12H2,1-6H3;12H,7-11H2,1-6H3,(H,16,18);3*12H,7-11H2,1-6H3;7-11H2,1-6H3;11-12H,6-10H2,1-5H3,(H,15,17);11,14H,7-10H2,1-6H3/t;12-;;;;;12-;/m.1....0./s1
InChIKeyJSQDRSXOPCZDCL-JPCYHHRLSA-N
XLogP24.29
TPSA221.66 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001983.22
LogP ≤ 524.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze 1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);N-[(3R)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N,1-ditert-butylpiperidin-4-amine;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide;2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate;2,2-dimethylpropyl 4-tert-butylpiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);N-[(3R)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N,1-ditert-butylpiperidin-4-amine;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide;2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate;2,2-dimethylpropyl 4-tert-butylpiperidine-1-carboxylate?
The IUPAC name of 1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);N-[(3R)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N,1-ditert-butylpiperidin-4-amine;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide;2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate;2,2-dimethylpropyl 4-tert-butylpiperidine-1-carboxylate (CID 159012211) is 1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);N-[(3R)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N,1-ditert-butylpiperidin-4-amine;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide;2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate;2,2-dimethylpropyl 4-tert-butylpiperidine-1-carboxylate.
What is the SMILES notation for 1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);N-[(3R)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N,1-ditert-butylpiperidin-4-amine;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide;2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate;2,2-dimethylpropyl 4-tert-butylpiperidine-1-carboxylate?
The canonical SMILES for 1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);N-[(3R)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N,1-ditert-butylpiperidin-4-amine;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide;2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate;2,2-dimethylpropyl 4-tert-butylpiperidine-1-carboxylate is CC(C)(C)CC(=O)CN1CCC(C(C)(C)C)CC1.CC(C)(C)CCC(=O)N[C@@H]1CCN(C(C)(C)C)C1.CC(C)(C)COC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)COC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)NC1CCN(C(C)(C)C)CC1.CC(C)(C)OCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)OCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)N1CC[C@H](NC(=O)CCC(C)(C)C)C1.
What is the InChIKey of 1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);N-[(3R)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N,1-ditert-butylpiperidin-4-amine;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide;2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate;2,2-dimethylpropyl 4-tert-butylpiperidine-1-carboxylate?
The InChIKey is JSQDRSXOPCZDCL-JPCYHHRLSA-N. The full InChI is InChI=1S/C16H31NO.C15H30N2O.3C15H29NO2.C14H28N2O2.C14H28N2O.C13H28N2/c1-15(2,3)11-14(18)12-17-9-7-13(8-10-17)16(4,5)6;1-14(2,3)9-7-13(18)16-12-8-10-17(11-12)15(4,5)6;1-14(2,3)11-18-13(17)16-9-7-12(8-10-16)15(4,5)6;2*1-14(2,3)12-7-9-16(10-8-12)13(17)11-18-15(4,5)6;1-13(2,3)11-18-12(17)15-7-9-16(10-8-15)14(4,5)6;1-11(2)16-9-7-12(10-16)15-13(17)6-8-14(3,4)5;1-12(2,3)14-11-7-9-15(10-8-11)13(4,5)6/h13H,7-12H2,1-6H3;12H,7-11H2,1-6H3,(H,16,18);3*12H,7-11H2,1-6H3;7-11H2,1-6H3;11-12H,6-10H2,1-5H3,(H,15,17);11,14H,7-10H2,1-6H3/t;12-;;;;;12-;/m.1....0./s1.
What are the key properties of 1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);N-[(3R)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N,1-ditert-butylpiperidin-4-amine;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide;2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate;2,2-dimethylpropyl 4-tert-butylpiperidine-1-carboxylate?
1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);N-[(3R)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N,1-ditert-butylpiperidin-4-amine;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide;2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate;2,2-dimethylpropyl 4-tert-butylpiperidine-1-carboxylate has a molecular weight of 1983.22 g/mol, XLogP of 24.29, 17 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);N-[(3R)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N,1-ditert-butylpiperidin-4-amine;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide;2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate;2,2-dimethylpropyl 4-tert-butylpiperidine-1-carboxylate is sourced from PubChem (CID 159012211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).