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

C21H40N4O4 — CID 20643297

IUPACN-[[formyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)formamide
SMILESCC1(C)CC(N(C=O)CN(C=O)C2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O
InChIInChI=1S/C21H40N4O4/c1-18(2)9-16(10-19(3,4)24(18)28)22(14-26)13-23(15-27)17-11-20(5,6)25(29)21(7,8)12-17/h14-17,28-29H,9-13H2,1-8H3
InChIKeyKUMYZVPHPSFMDO-UHFFFAOYSA-N
MW412.58 g/mol
LogP2.68
Rot. Bonds6

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

N-[[formyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)formamide (PubChem CID 20643297) has the molecular formula C21H40N4O4 and a molecular weight of 412.58 g/mol. Its IUPAC name is N-[[formyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)formamide.

Molecular Properties

Compound NameN-[[formyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)formamide
PubChem CID20643297
Molecular FormulaC21H40N4O4
Molecular Weight412.58 g/mol
Exact Mass412.30
IUPAC NameN-[[formyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)formamide
SMILESCC1(C)CC(N(C=O)CN(C=O)C2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O
InChIInChI=1S/C21H40N4O4/c1-18(2)9-16(10-19(3,4)24(18)28)22(14-26)13-23(15-27)17-11-20(5,6)25(29)21(7,8)12-17/h14-17,28-29H,9-13H2,1-8H3
InChIKeyKUMYZVPHPSFMDO-UHFFFAOYSA-N
XLogP2.68
TPSA87.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 52.68
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-2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)formamide?
The IUPAC name of N-[[formyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)formamide (CID 20643297) is N-[[formyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)formamide.
What is the SMILES notation for N-[[formyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)formamide?
The canonical SMILES for N-[[formyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)formamide is CC1(C)CC(N(C=O)CN(C=O)C2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O.
What is the InChIKey of N-[[formyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)formamide?
The InChIKey is KUMYZVPHPSFMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N4O4/c1-18(2)9-16(10-19(3,4)24(18)28)22(14-26)13-23(15-27)17-11-20(5,6)25(29)21(7,8)12-17/h14-17,28-29H,9-13H2,1-8H3.
What are the key properties of N-[[formyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)formamide?
N-[[formyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)formamide has a molecular weight of 412.58 g/mol, XLogP of 2.68, 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-2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)formamide is sourced from PubChem (CID 20643297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).