4-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-4-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide

C22H42N4O2 — CID 1272586

IUPAC4-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-4-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
SMILESCC1(C)CC(NC(=O)CCC(=O)N2C(C)(C)CC(N)CC2(C)C)CC(C)(C)N1
InChIInChI=1S/C22H42N4O2/c1-19(2)13-16(14-20(3,4)25-19)24-17(27)9-10-18(28)26-21(5,6)11-15(23)12-22(26,7)8/h15-16,25H,9-14,23H2,1-8H3,(H,24,27)
InChIKeyWWKRSTPMXKDAEB-UHFFFAOYSA-N
MW394.60 g/mol
LogP2.70
Rot. Bonds4

About 4-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-4-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide

4-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-4-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide (PubChem CID 1272586) has the molecular formula C22H42N4O2 and a molecular weight of 394.60 g/mol. Its IUPAC name is 4-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-4-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name4-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-4-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
PubChem CID1272586
Molecular FormulaC22H42N4O2
Molecular Weight394.60 g/mol
Exact Mass394.33
IUPAC Name4-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-4-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
SMILESCC1(C)CC(NC(=O)CCC(=O)N2C(C)(C)CC(N)CC2(C)C)CC(C)(C)N1
InChIInChI=1S/C22H42N4O2/c1-19(2)13-16(14-20(3,4)25-19)24-17(27)9-10-18(28)26-21(5,6)11-15(23)12-22(26,7)8/h15-16,25H,9-14,23H2,1-8H3,(H,24,27)
InChIKeyWWKRSTPMXKDAEB-UHFFFAOYSA-N
XLogP2.70
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.60
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-4-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide?
The IUPAC name of 4-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-4-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide (CID 1272586) is 4-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-4-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide.
What is the SMILES notation for 4-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-4-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide?
The canonical SMILES for 4-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-4-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide is CC1(C)CC(NC(=O)CCC(=O)N2C(C)(C)CC(N)CC2(C)C)CC(C)(C)N1.
What is the InChIKey of 4-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-4-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide?
The InChIKey is WWKRSTPMXKDAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N4O2/c1-19(2)13-16(14-20(3,4)25-19)24-17(27)9-10-18(28)26-21(5,6)11-15(23)12-22(26,7)8/h15-16,25H,9-14,23H2,1-8H3,(H,24,27).
What are the key properties of 4-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-4-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide?
4-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-4-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide has a molecular weight of 394.60 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-4-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide is sourced from PubChem (CID 1272586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).