[4-[acetyl(butyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] 2,2-dimethylpropanoate

C20H38N2O3 — CID 22182271

IUPAC[4-[acetyl(butyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] 2,2-dimethylpropanoate
SMILESCCCCN(C(C)=O)C1CC(C)(C)N(OC(=O)C(C)(C)C)C(C)(C)C1
InChIInChI=1S/C20H38N2O3/c1-10-11-12-21(15(2)23)16-13-19(6,7)22(20(8,9)14-16)25-17(24)18(3,4)5/h16H,10-14H2,1-9H3
InChIKeyGOQJVJUPPXWPPD-UHFFFAOYSA-N
MW354.54 g/mol
LogP4.16
Rot. Bonds5

About [4-[acetyl(butyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] 2,2-dimethylpropanoate

[4-[acetyl(butyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 22182271) has the molecular formula C20H38N2O3 and a molecular weight of 354.54 g/mol. Its IUPAC name is [4-[acetyl(butyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-[acetyl(butyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID22182271
Molecular FormulaC20H38N2O3
Molecular Weight354.54 g/mol
Exact Mass354.29
IUPAC Name[4-[acetyl(butyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] 2,2-dimethylpropanoate
SMILESCCCCN(C(C)=O)C1CC(C)(C)N(OC(=O)C(C)(C)C)C(C)(C)C1
InChIInChI=1S/C20H38N2O3/c1-10-11-12-21(15(2)23)16-13-19(6,7)22(20(8,9)14-16)25-17(24)18(3,4)5/h16H,10-14H2,1-9H3
InChIKeyGOQJVJUPPXWPPD-UHFFFAOYSA-N
XLogP4.16
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[acetyl(butyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-[acetyl(butyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] 2,2-dimethylpropanoate (CID 22182271) is [4-[acetyl(butyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-[acetyl(butyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-[acetyl(butyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] 2,2-dimethylpropanoate is CCCCN(C(C)=O)C1CC(C)(C)N(OC(=O)C(C)(C)C)C(C)(C)C1.
What is the InChIKey of [4-[acetyl(butyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is GOQJVJUPPXWPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O3/c1-10-11-12-21(15(2)23)16-13-19(6,7)22(20(8,9)14-16)25-17(24)18(3,4)5/h16H,10-14H2,1-9H3.
What are the key properties of [4-[acetyl(butyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] 2,2-dimethylpropanoate?
[4-[acetyl(butyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 354.54 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[acetyl(butyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 22182271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).