N-[[formyl-(1-hydroxy-2,2,3,5,6,6-hexamethylpiperidin-4-yl)amino]methyl]-N-(1-hydroxy-2,2,3,5,6,6-hexamethylpiperidin-4-yl)formamide

C25H48N4O4 — CID 22973499

IUPACN-[[formyl-(1-hydroxy-2,2,3,5,6,6-hexamethylpiperidin-4-yl)amino]methyl]-N-(1-hydroxy-2,2,3,5,6,6-hexamethylpiperidin-4-yl)formamide
SMILESCC1C(N(C=O)CN(C=O)C2C(C)C(C)(C)N(O)C(C)(C)C2C)C(C)C(C)(C)N(O)C1(C)C
InChIInChI=1S/C25H48N4O4/c1-16-20(17(2)23(7,8)28(32)22(16,5)6)26(14-30)13-27(15-31)21-18(3)24(9,10)29(33)25(11,12)19(21)4/h14-21,32-33H,13H2,1-12H3
InChIKeyDFQKARUVTPPFFD-UHFFFAOYSA-N
MW468.68 g/mol
LogP3.67
Rot. Bonds6

About N-[[formyl-(1-hydroxy-2,2,3,5,6,6-hexamethylpiperidin-4-yl)amino]methyl]-N-(1-hydroxy-2,2,3,5,6,6-hexamethylpiperidin-4-yl)formamide

N-[[formyl-(1-hydroxy-2,2,3,5,6,6-hexamethylpiperidin-4-yl)amino]methyl]-N-(1-hydroxy-2,2,3,5,6,6-hexamethylpiperidin-4-yl)formamide (PubChem CID 22973499) has the molecular formula C25H48N4O4 and a molecular weight of 468.68 g/mol. Its IUPAC name is N-[[formyl-(1-hydroxy-2,2,3,5,6,6-hexamethylpiperidin-4-yl)amino]methyl]-N-(1-hydroxy-2,2,3,5,6,6-hexamethylpiperidin-4-yl)formamide.

Molecular Properties

Compound NameN-[[formyl-(1-hydroxy-2,2,3,5,6,6-hexamethylpiperidin-4-yl)amino]methyl]-N-(1-hydroxy-2,2,3,5,6,6-hexamethylpiperidin-4-yl)formamide
PubChem CID22973499
Molecular FormulaC25H48N4O4
Molecular Weight468.68 g/mol
Exact Mass468.37
IUPAC NameN-[[formyl-(1-hydroxy-2,2,3,5,6,6-hexamethylpiperidin-4-yl)amino]methyl]-N-(1-hydroxy-2,2,3,5,6,6-hexamethylpiperidin-4-yl)formamide
SMILESCC1C(N(C=O)CN(C=O)C2C(C)C(C)(C)N(O)C(C)(C)C2C)C(C)C(C)(C)N(O)C1(C)C
InChIInChI=1S/C25H48N4O4/c1-16-20(17(2)23(7,8)28(32)22(16,5)6)26(14-30)13-27(15-31)21-18(3)24(9,10)29(33)25(11,12)19(21)4/h14-21,32-33H,13H2,1-12H3
InChIKeyDFQKARUVTPPFFD-UHFFFAOYSA-N
XLogP3.67
TPSA87.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.68
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[formyl-(1-hydroxy-2,2,3,5,6,6-hexamethylpiperidin-4-yl)amino]methyl]-N-(1-hydroxy-2,2,3,5,6,6-hexamethylpiperidin-4-yl)formamide?
The IUPAC name of N-[[formyl-(1-hydroxy-2,2,3,5,6,6-hexamethylpiperidin-4-yl)amino]methyl]-N-(1-hydroxy-2,2,3,5,6,6-hexamethylpiperidin-4-yl)formamide (CID 22973499) is N-[[formyl-(1-hydroxy-2,2,3,5,6,6-hexamethylpiperidin-4-yl)amino]methyl]-N-(1-hydroxy-2,2,3,5,6,6-hexamethylpiperidin-4-yl)formamide.
What is the SMILES notation for N-[[formyl-(1-hydroxy-2,2,3,5,6,6-hexamethylpiperidin-4-yl)amino]methyl]-N-(1-hydroxy-2,2,3,5,6,6-hexamethylpiperidin-4-yl)formamide?
The canonical SMILES for N-[[formyl-(1-hydroxy-2,2,3,5,6,6-hexamethylpiperidin-4-yl)amino]methyl]-N-(1-hydroxy-2,2,3,5,6,6-hexamethylpiperidin-4-yl)formamide is CC1C(N(C=O)CN(C=O)C2C(C)C(C)(C)N(O)C(C)(C)C2C)C(C)C(C)(C)N(O)C1(C)C.
What is the InChIKey of N-[[formyl-(1-hydroxy-2,2,3,5,6,6-hexamethylpiperidin-4-yl)amino]methyl]-N-(1-hydroxy-2,2,3,5,6,6-hexamethylpiperidin-4-yl)formamide?
The InChIKey is DFQKARUVTPPFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48N4O4/c1-16-20(17(2)23(7,8)28(32)22(16,5)6)26(14-30)13-27(15-31)21-18(3)24(9,10)29(33)25(11,12)19(21)4/h14-21,32-33H,13H2,1-12H3.
What are the key properties of N-[[formyl-(1-hydroxy-2,2,3,5,6,6-hexamethylpiperidin-4-yl)amino]methyl]-N-(1-hydroxy-2,2,3,5,6,6-hexamethylpiperidin-4-yl)formamide?
N-[[formyl-(1-hydroxy-2,2,3,5,6,6-hexamethylpiperidin-4-yl)amino]methyl]-N-(1-hydroxy-2,2,3,5,6,6-hexamethylpiperidin-4-yl)formamide has a molecular weight of 468.68 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[formyl-(1-hydroxy-2,2,3,5,6,6-hexamethylpiperidin-4-yl)amino]methyl]-N-(1-hydroxy-2,2,3,5,6,6-hexamethylpiperidin-4-yl)formamide is sourced from PubChem (CID 22973499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).