(2,4-dimethyl-3-propan-2-ylpentan-3-yl) 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate

C23H43NO4 — CID 162159070

IUPAC(2,4-dimethyl-3-propan-2-ylpentan-3-yl) 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate
SMILESCCC(C)(C)C(=O)OC1(C)CCN(C(=O)OC(C(C)C)(C(C)C)C(C)C)CC1
InChIInChI=1S/C23H43NO4/c1-11-21(8,9)19(25)27-22(10)12-14-24(15-13-22)20(26)28-23(16(2)3,17(4)5)18(6)7/h16-18H,11-15H2,1-10H3
InChIKeyDZUCQJFMNOYRKE-UHFFFAOYSA-N
MW397.60 g/mol
LogP5.66
Rot. Bonds7

About (2,4-dimethyl-3-propan-2-ylpentan-3-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 (PubChem CID 162159070) has the molecular formula C23H43NO4 and a molecular weight of 397.60 g/mol. Its IUPAC name is (2,4-dimethyl-3-propan-2-ylpentan-3-yl) 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Name(2,4-dimethyl-3-propan-2-ylpentan-3-yl) 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate
PubChem CID162159070
Molecular FormulaC23H43NO4
Molecular Weight397.60 g/mol
Exact Mass397.32
IUPAC Name(2,4-dimethyl-3-propan-2-ylpentan-3-yl) 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate
SMILESCCC(C)(C)C(=O)OC1(C)CCN(C(=O)OC(C(C)C)(C(C)C)C(C)C)CC1
InChIInChI=1S/C23H43NO4/c1-11-21(8,9)19(25)27-22(10)12-14-24(15-13-22)20(26)28-23(16(2)3,17(4)5)18(6)7/h16-18H,11-15H2,1-10H3
InChIKeyDZUCQJFMNOYRKE-UHFFFAOYSA-N
XLogP5.66
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.60
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,4-dimethyl-3-propan-2-ylpentan-3-yl) 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-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

(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-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
tert-butyl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate
CID 158168486
2,3-dimethylbutan-2-yl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate
CID 157292574
tert-butyl 4-methyl-4-(3-methylbutanoyloxy)piperidine-1-carboxylate
CID 160869586
(4-methyl-1,1-dioxothian-4-yl) 2,2-dimethylbutanoate
CID 165070592
(8-methylspiro[4.5]decan-8-yl) 2,2-dimethylbutanoate
CID 59602243
tert-butyl 4-methyl-4-[2-oxo-2-(pentan-2-ylamino)ethoxy]piperidine-1-carboxylate
CID 113351202
2-methylbutan-2-yl 3-tert-butyl-3-(2,2-dimethylbutanoyloxy)pyrrolidine-1-carboxylate
CID 161302334
tert-butyl 4-(2,2-difluoroethyl)-4-hydroxypiperidine-1-carboxylate
CID 170341437
tert-butyl 4-(2,2-dimethoxyethoxy)-4-methylpiperidine-1-carboxylate
CID 83206348
tert-butyl 4-methyl-4-(4-methylpentoxy)piperidine-1-carboxylate
CID 83206494

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-3-propan-2-ylpentan-3-yl) 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate?
The IUPAC name of (2,4-dimethyl-3-propan-2-ylpentan-3-yl) 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate (CID 162159070) is (2,4-dimethyl-3-propan-2-ylpentan-3-yl) 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for (2,4-dimethyl-3-propan-2-ylpentan-3-yl) 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate?
The canonical SMILES for (2,4-dimethyl-3-propan-2-ylpentan-3-yl) 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate is CCC(C)(C)C(=O)OC1(C)CCN(C(=O)OC(C(C)C)(C(C)C)C(C)C)CC1.
What is the InChIKey of (2,4-dimethyl-3-propan-2-ylpentan-3-yl) 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate?
The InChIKey is DZUCQJFMNOYRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43NO4/c1-11-21(8,9)19(25)27-22(10)12-14-24(15-13-22)20(26)28-23(16(2)3,17(4)5)18(6)7/h16-18H,11-15H2,1-10H3.
What are the key properties of (2,4-dimethyl-3-propan-2-ylpentan-3-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 has a molecular weight of 397.60 g/mol, XLogP of 5.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-3-propan-2-ylpentan-3-yl) 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 162159070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).