2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]propanamide

C31H62N6O — CID 67717628

IUPAC2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]propanamide
SMILESCC1(C)CC(NC(=O)C(C)(C)N(NC2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C31H62N6O/c1-25(2)15-21(16-26(3,4)34-25)32-24(38)31(13,14)37(23-19-29(9,10)36-30(11,12)20-23)33-22-17-27(5,6)35-28(7,8)18-22/h21-23,33-36H,15-20H2,1-14H3,(H,32,38)
InChIKeySYSKOBUTHSSJLP-UHFFFAOYSA-N
MW534.88 g/mol
LogP4.62
Rot. Bonds6

About 2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]propanamide

2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]propanamide (PubChem CID 67717628) has the molecular formula C31H62N6O and a molecular weight of 534.88 g/mol. Its IUPAC name is 2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]propanamide.

Molecular Properties

Compound Name2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]propanamide
PubChem CID67717628
Molecular FormulaC31H62N6O
Molecular Weight534.88 g/mol
Exact Mass534.50
IUPAC Name2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]propanamide
SMILESCC1(C)CC(NC(=O)C(C)(C)N(NC2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C31H62N6O/c1-25(2)15-21(16-26(3,4)34-25)32-24(38)31(13,14)37(23-19-29(9,10)36-30(11,12)20-23)33-22-17-27(5,6)35-28(7,8)18-22/h21-23,33-36H,15-20H2,1-14H3,(H,32,38)
InChIKeySYSKOBUTHSSJLP-UHFFFAOYSA-N
XLogP4.62
TPSA80.46 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.88
LogP ≤ 54.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]propanamide?
The IUPAC name of 2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]propanamide (CID 67717628) is 2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]propanamide.
What is the SMILES notation for 2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]propanamide?
The canonical SMILES for 2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]propanamide is CC1(C)CC(NC(=O)C(C)(C)N(NC2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of 2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]propanamide?
The InChIKey is SYSKOBUTHSSJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H62N6O/c1-25(2)15-21(16-26(3,4)34-25)32-24(38)31(13,14)37(23-19-29(9,10)36-30(11,12)20-23)33-22-17-27(5,6)35-28(7,8)18-22/h21-23,33-36H,15-20H2,1-14H3,(H,32,38).
What are the key properties of 2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]propanamide?
2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]propanamide has a molecular weight of 534.88 g/mol, XLogP of 4.62, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]propanamide is sourced from PubChem (CID 67717628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).