[formyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]oxymethyl N-formyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamate

C23H40N4O8 — CID 22892224

IUPAC[formyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]oxymethyl N-formyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamate
SMILESCC1(C)CC(N(C=O)C(=O)OCOC(=O)N(C=O)C2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O
InChIInChI=1S/C23H40N4O8/c1-20(2)9-16(10-21(3,4)26(20)32)24(13-28)18(30)34-15-35-19(31)25(14-29)17-11-22(5,6)27(33)23(7,8)12-17/h13-14,16-17,32-33H,9-12,15H2,1-8H3
InChIKeyIXBMACRORBIPPW-UHFFFAOYSA-N
MW500.59 g/mol
LogP2.96
Rot. Bonds6

About [formyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]oxymethyl N-formyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamate

[formyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]oxymethyl N-formyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamate (PubChem CID 22892224) has the molecular formula C23H40N4O8 and a molecular weight of 500.59 g/mol. Its IUPAC name is [formyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]oxymethyl N-formyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Name[formyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]oxymethyl N-formyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamate
PubChem CID22892224
Molecular FormulaC23H40N4O8
Molecular Weight500.59 g/mol
Exact Mass500.28
IUPAC Name[formyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]oxymethyl N-formyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamate
SMILESCC1(C)CC(N(C=O)C(=O)OCOC(=O)N(C=O)C2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O
InChIInChI=1S/C23H40N4O8/c1-20(2)9-16(10-21(3,4)26(20)32)24(13-28)18(30)34-15-35-19(31)25(14-29)17-11-22(5,6)27(33)23(7,8)12-17/h13-14,16-17,32-33H,9-12,15H2,1-8H3
InChIKeyIXBMACRORBIPPW-UHFFFAOYSA-N
XLogP2.96
TPSA140.16 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.59
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [formyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]oxymethyl N-formyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamate with MolForge

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Related Compounds

2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]acetic acid
CID 54019631
N-[6-[formyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)formamide
CID 87152024
1,1-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)hydrazine
CID 129171446
2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 66687478
4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-oxobutanoic acid
CID 151524547
2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)ethoxy]-2-oxoacetic acid
CID 151971487
2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylbutanedioic acid
CID 69258526
1-hydroxy-N,2,2,6,6-pentamethyl-N-prop-2-ynylpiperidin-4-amine
CID 91177291
methyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate
CID 3367709
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-methyl-4-oxobutanoate
CID 155198262
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;pentakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol)
CID 173025963
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687

Frequently Asked Questions

What is the IUPAC name of [formyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]oxymethyl N-formyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamate?
The IUPAC name of [formyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]oxymethyl N-formyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamate (CID 22892224) is [formyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]oxymethyl N-formyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamate.
What is the SMILES notation for [formyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]oxymethyl N-formyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamate?
The canonical SMILES for [formyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]oxymethyl N-formyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamate is CC1(C)CC(N(C=O)C(=O)OCOC(=O)N(C=O)C2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O.
What is the InChIKey of [formyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]oxymethyl N-formyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamate?
The InChIKey is IXBMACRORBIPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N4O8/c1-20(2)9-16(10-21(3,4)26(20)32)24(13-28)18(30)34-15-35-19(31)25(14-29)17-11-22(5,6)27(33)23(7,8)12-17/h13-14,16-17,32-33H,9-12,15H2,1-8H3.
What are the key properties of [formyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]oxymethyl N-formyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamate?
[formyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]oxymethyl N-formyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamate has a molecular weight of 500.59 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [formyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]oxymethyl N-formyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamate is sourced from PubChem (CID 22892224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).