[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate

C20H32N2O7 — CID 145111837

IUPAC[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate
SMILESC=CC(=O)OCC(C)(COC(=O)C=C)NC(=O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C20H32N2O7/c1-8-15(23)27-12-20(7,13-28-16(24)9-2)21-17(25)29-14-10-18(3,4)22(26)19(5,6)11-14/h8-9,14,26H,1-2,10-13H2,3-7H3,(H,21,25)
InChIKeySDCRZFOWPIRYRB-UHFFFAOYSA-N
MW412.48 g/mol
LogP2.34
Rot. Bonds8

About [2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate

[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate (PubChem CID 145111837) has the molecular formula C20H32N2O7 and a molecular weight of 412.48 g/mol. Its IUPAC name is [2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate.

Molecular Properties

Compound Name[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate
PubChem CID145111837
Molecular FormulaC20H32N2O7
Molecular Weight412.48 g/mol
Exact Mass412.22
IUPAC Name[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate
SMILESC=CC(=O)OCC(C)(COC(=O)C=C)NC(=O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C20H32N2O7/c1-8-15(23)27-12-20(7,13-28-16(24)9-2)21-17(25)29-14-10-18(3,4)22(26)19(5,6)11-14/h8-9,14,26H,1-2,10-13H2,3-7H3,(H,21,25)
InChIKeySDCRZFOWPIRYRB-UHFFFAOYSA-N
XLogP2.34
TPSA114.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-methyl-3-prop-2-enoyloxy-2-[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxycarbonylamino]propyl] 3-[butyl(methyl)amino]propanoate
CID 131974115
[(E)-2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]ethenyl] prop-2-enoate
CID 146513220
[2-methyl-2-[4-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]penta-1,4-dien-2-yloxycarbonylamino]-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 159512630
[2-(8-acetyloxyoctoxycarbonylamino)-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate;(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate
CID 145133380
2-[hydroxy-[6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]hexyl-[[7-[[7-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-7-methyloctyl]carbamoyl-(2-prop-2-enoyloxyethoxycarbonyl)amino]-7-methyloctyl]carbamoyl]amino]methoxy]ethyl prop-2-enoate
CID 123308723
[3-[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxy-2-[[3-[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxy-2,2-bis[[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxymethyl]propoxy]methyl]-2-[[2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoyl]oxymethyl]propyl] 2-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propanoate
CID 59460239
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687
[2-methyl-2-[(4-phenylpyridin-1-ium-1-yl)oxycarbonylamino]-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 59705464
bis(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl) propanedioate
CID 141308414
(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate
CID 16680
[2-methyl-2-[[4-(methylamino)phenyl]methoxycarbonylamino]-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 166497925
(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate
CID 141256666

Frequently Asked Questions

What is the IUPAC name of [2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate?
The IUPAC name of [2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate (CID 145111837) is [2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate.
What is the SMILES notation for [2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate?
The canonical SMILES for [2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate is C=CC(=O)OCC(C)(COC(=O)C=C)NC(=O)OC1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of [2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate?
The InChIKey is SDCRZFOWPIRYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O7/c1-8-15(23)27-12-20(7,13-28-16(24)9-2)21-17(25)29-14-10-18(3,4)22(26)19(5,6)11-14/h8-9,14,26H,1-2,10-13H2,3-7H3,(H,21,25).
What are the key properties of [2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate?
[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate has a molecular weight of 412.48 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate is sourced from PubChem (CID 145111837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).