tert-butyl 4-[1-[(1-tert-butylpiperidin-4-yl)amino]-2-methyl-1-oxopropan-2-yl]piperazine-1-carboxylate

C22H42N4O3 — CID 75423530

IUPACtert-butyl 4-[1-[(1-tert-butylpiperidin-4-yl)amino]-2-methyl-1-oxopropan-2-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(C)(C)C(=O)NC2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C22H42N4O3/c1-20(2,3)25-11-9-17(10-12-25)23-18(27)22(7,8)26-15-13-24(14-16-26)19(28)29-21(4,5)6/h17H,9-16H2,1-8H3,(H,23,27)
InChIKeyQHMLQIRGIYNLQB-UHFFFAOYSA-N
MW410.60 g/mol
LogP2.70
Rot. Bonds3

About tert-butyl 4-[1-[(1-tert-butylpiperidin-4-yl)amino]-2-methyl-1-oxopropan-2-yl]piperazine-1-carboxylate

tert-butyl 4-[1-[(1-tert-butylpiperidin-4-yl)amino]-2-methyl-1-oxopropan-2-yl]piperazine-1-carboxylate (PubChem CID 75423530) has the molecular formula C22H42N4O3 and a molecular weight of 410.60 g/mol. Its IUPAC name is tert-butyl 4-[1-[(1-tert-butylpiperidin-4-yl)amino]-2-methyl-1-oxopropan-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-[(1-tert-butylpiperidin-4-yl)amino]-2-methyl-1-oxopropan-2-yl]piperazine-1-carboxylate
PubChem CID75423530
Molecular FormulaC22H42N4O3
Molecular Weight410.60 g/mol
Exact Mass410.33
IUPAC Nametert-butyl 4-[1-[(1-tert-butylpiperidin-4-yl)amino]-2-methyl-1-oxopropan-2-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(C)(C)C(=O)NC2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C22H42N4O3/c1-20(2,3)25-11-9-17(10-12-25)23-18(27)22(7,8)26-15-13-24(14-16-26)19(28)29-21(4,5)6/h17H,9-16H2,1-8H3,(H,23,27)
InChIKeyQHMLQIRGIYNLQB-UHFFFAOYSA-N
XLogP2.70
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.60
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[1-[(1-tert-butylpiperidin-4-yl)amino]-2-methyl-1-oxopropan-2-yl]piperazine-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 tert-butyl 4-[1-[(1-tert-butylpiperidin-4-yl)amino]-2-methyl-1-oxopropan-2-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-[(1-tert-butylpiperidin-4-yl)amino]-2-methyl-1-oxopropan-2-yl]piperazine-1-carboxylate (CID 75423530) is tert-butyl 4-[1-[(1-tert-butylpiperidin-4-yl)amino]-2-methyl-1-oxopropan-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-[(1-tert-butylpiperidin-4-yl)amino]-2-methyl-1-oxopropan-2-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-[(1-tert-butylpiperidin-4-yl)amino]-2-methyl-1-oxopropan-2-yl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(C)(C)C(=O)NC2CCN(C(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl 4-[1-[(1-tert-butylpiperidin-4-yl)amino]-2-methyl-1-oxopropan-2-yl]piperazine-1-carboxylate?
The InChIKey is QHMLQIRGIYNLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N4O3/c1-20(2,3)25-11-9-17(10-12-25)23-18(27)22(7,8)26-15-13-24(14-16-26)19(28)29-21(4,5)6/h17H,9-16H2,1-8H3,(H,23,27).
What are the key properties of tert-butyl 4-[1-[(1-tert-butylpiperidin-4-yl)amino]-2-methyl-1-oxopropan-2-yl]piperazine-1-carboxylate?
tert-butyl 4-[1-[(1-tert-butylpiperidin-4-yl)amino]-2-methyl-1-oxopropan-2-yl]piperazine-1-carboxylate has a molecular weight of 410.60 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-[(1-tert-butylpiperidin-4-yl)amino]-2-methyl-1-oxopropan-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 75423530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).