2,3-dimethylbutan-2-yl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate

C22H41NO4 — CID 157292574

IUPAC2,3-dimethylbutan-2-yl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate
SMILESCCC(C)(C)C(=O)OC1(C(C)(C)C)CCN(C(=O)OC(C)(C)C(C)C)CC1
InChIInChI=1S/C22H41NO4/c1-11-20(7,8)17(24)26-22(19(4,5)6)12-14-23(15-13-22)18(25)27-21(9,10)16(2)3/h16H,11-15H2,1-10H3
InChIKeyNCKLEAHGBFVQPX-UHFFFAOYSA-N
MW383.57 g/mol
LogP5.42
Rot. Bonds5

About 2,3-dimethylbutan-2-yl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate

2,3-dimethylbutan-2-yl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate (PubChem CID 157292574) has the molecular formula C22H41NO4 and a molecular weight of 383.57 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-yl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate.

Molecular Properties

Compound Name2,3-dimethylbutan-2-yl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate
PubChem CID157292574
Molecular FormulaC22H41NO4
Molecular Weight383.57 g/mol
Exact Mass383.30
IUPAC Name2,3-dimethylbutan-2-yl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate
SMILESCCC(C)(C)C(=O)OC1(C(C)(C)C)CCN(C(=O)OC(C)(C)C(C)C)CC1
InChIInChI=1S/C22H41NO4/c1-11-20(7,8)17(24)26-22(19(4,5)6)12-14-23(15-13-22)18(25)27-21(9,10)16(2)3/h16H,11-15H2,1-10H3
InChIKeyNCKLEAHGBFVQPX-UHFFFAOYSA-N
XLogP5.42
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.57
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,3-dimethylbutan-2-yl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-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

Related Compounds

tert-butyl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate
CID 158168486
2-methylbutan-2-yl 3-tert-butyl-3-(2,2-dimethylbutanoyloxy)pyrrolidine-1-carboxylate
CID 161302334
(2,4-dimethyl-3-propan-2-ylpentan-3-yl) 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate
CID 162159070
(1-tert-butylcyclohexyl) 2,2-dimethylbutanoate
CID 58776795
(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;methane
CID 162048791
(2,4-dimethyl-3-propan-2-ylpentan-3-yl) 3-(2,2-dimethylbutanoyloxy)-3-methylpyrrolidine-1-carboxylate
CID 159331362
tert-butyl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2,3-dimethylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;3-ethylpentan-3-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2-methylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2-methylpentan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;4-propylheptan-4-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate
CID 158184004
[1-(3-ethylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate
CID 134352495
(1-tert-butylcyclohexyl) 2,2-dimethylbutanoate;(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;[1-(2-methylbutan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[1-(2-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[1-(3-methylpentan-3-yl)cyclohexyl] 2,2-dimethylbutanoate;[1-(3-methylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate
CID 161454309
(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate
CID 21049876
[1-(3-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate
CID 121368377
tert-butyl 4-(2,2-dimethylbutanoyloxy)-4-ethylpiperidine-1-carboxylate;5-butylnonan-5-yl 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate;(2,4-dimethyl-3-propan-2-ylpentan-3-yl) 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate;2,3,3-trimethylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate
CID 162159068

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutan-2-yl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate?
The IUPAC name of 2,3-dimethylbutan-2-yl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate (CID 157292574) is 2,3-dimethylbutan-2-yl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate.
What is the SMILES notation for 2,3-dimethylbutan-2-yl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate?
The canonical SMILES for 2,3-dimethylbutan-2-yl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate is CCC(C)(C)C(=O)OC1(C(C)(C)C)CCN(C(=O)OC(C)(C)C(C)C)CC1.
What is the InChIKey of 2,3-dimethylbutan-2-yl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate?
The InChIKey is NCKLEAHGBFVQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO4/c1-11-20(7,8)17(24)26-22(19(4,5)6)12-14-23(15-13-22)18(25)27-21(9,10)16(2)3/h16H,11-15H2,1-10H3.
What are the key properties of 2,3-dimethylbutan-2-yl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate?
2,3-dimethylbutan-2-yl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate has a molecular weight of 383.57 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-2-yl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate is sourced from PubChem (CID 157292574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).