N-[3-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide

C23H44N4O2 — CID 89258530

IUPACN-[3-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide
SMILESCC1(C)CC(N(C=O)CCCN(C=O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C23H44N4O2/c1-20(2)12-18(13-21(3,4)24-20)26(16-28)10-9-11-27(17-29)19-14-22(5,6)25-23(7,8)15-19/h16-19,24-25H,9-15H2,1-8H3
InChIKeyWAUFJNDIEZQEGL-UHFFFAOYSA-N
MW408.63 g/mol
LogP2.91
Rot. Bonds8

About N-[3-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide

N-[3-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide (PubChem CID 89258530) has the molecular formula C23H44N4O2 and a molecular weight of 408.63 g/mol. Its IUPAC name is N-[3-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide.

Molecular Properties

Compound NameN-[3-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide
PubChem CID89258530
Molecular FormulaC23H44N4O2
Molecular Weight408.63 g/mol
Exact Mass408.35
IUPAC NameN-[3-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide
SMILESCC1(C)CC(N(C=O)CCCN(C=O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C23H44N4O2/c1-20(2)12-18(13-21(3,4)24-20)26(16-28)10-9-11-27(17-29)19-14-22(5,6)25-23(7,8)15-19/h16-19,24-25H,9-15H2,1-8H3
InChIKeyWAUFJNDIEZQEGL-UHFFFAOYSA-N
XLogP2.91
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.63
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide?
The IUPAC name of N-[3-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide (CID 89258530) is N-[3-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide.
What is the SMILES notation for N-[3-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide?
The canonical SMILES for N-[3-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide is CC1(C)CC(N(C=O)CCCN(C=O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of N-[3-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide?
The InChIKey is WAUFJNDIEZQEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N4O2/c1-20(2)12-18(13-21(3,4)24-20)26(16-28)10-9-11-27(17-29)19-14-22(5,6)25-23(7,8)15-19/h16-19,24-25H,9-15H2,1-8H3.
What are the key properties of N-[3-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide?
N-[3-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide has a molecular weight of 408.63 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide is sourced from PubChem (CID 89258530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).