3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxycarbonyl-5-prop-2-enoyloxyhexanoic acid

C20H33NO6 — CID 141419090

IUPAC3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxycarbonyl-5-prop-2-enoyloxyhexanoic acid
SMILESC=CC(=O)OC(C)CC(CC(=O)O)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C20H33NO6/c1-8-17(24)26-13(2)9-14(10-16(22)23)18(25)27-15-11-19(3,4)21(7)20(5,6)12-15/h8,13-15H,1,9-12H2,2-7H3,(H,22,23)
InChIKeyASZUZWIEXJUVQU-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.78
Rot. Bonds8

About 3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxycarbonyl-5-prop-2-enoyloxyhexanoic acid

3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxycarbonyl-5-prop-2-enoyloxyhexanoic acid (PubChem CID 141419090) has the molecular formula C20H33NO6 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxycarbonyl-5-prop-2-enoyloxyhexanoic acid.

Molecular Properties

Compound Name3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxycarbonyl-5-prop-2-enoyloxyhexanoic acid
PubChem CID141419090
Molecular FormulaC20H33NO6
Molecular Weight383.49 g/mol
Exact Mass383.23
IUPAC Name3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxycarbonyl-5-prop-2-enoyloxyhexanoic acid
SMILESC=CC(=O)OC(C)CC(CC(=O)O)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C20H33NO6/c1-8-17(24)26-13(2)9-14(10-16(22)23)18(25)27-15-11-19(3,4)21(7)20(5,6)12-15/h8,13-15H,1,9-12H2,2-7H3,(H,22,23)
InChIKeyASZUZWIEXJUVQU-UHFFFAOYSA-N
XLogP2.78
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxycarbonyl-5-prop-2-enoyloxyhexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate
CID 18715866
(1,2,2,6,6-pentamethylpiperidin-4-yl) prop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) prop-2-enoate
CID 70486948
1-O-ethyl 4-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) but-2-enedioate
CID 54340280
4-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethylbutanedioate
CID 118137042
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-hydroxy-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]propanedioate
CID 129281730
tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate
CID 18716423
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-[4-(hydroxymethyl)phenyl]ethenyl]propanedioate
CID 90347319
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]propanedioate
CID 167105370
1-O-methyl 2-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 5-oxopentane-1,2,3-tricarboxylate
CID 144808993
(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethyl-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoate
CID 166830264
tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 5-hydroxy-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypentane-1,2,3-tricarboxylate
CID 126536363
methoxymethane;1-O-methyl 2-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 5-oxopentane-1,2,3-tricarboxylate
CID 144808992

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxycarbonyl-5-prop-2-enoyloxyhexanoic acid?
The IUPAC name of 3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxycarbonyl-5-prop-2-enoyloxyhexanoic acid (CID 141419090) is 3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxycarbonyl-5-prop-2-enoyloxyhexanoic acid.
What is the SMILES notation for 3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxycarbonyl-5-prop-2-enoyloxyhexanoic acid?
The canonical SMILES for 3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxycarbonyl-5-prop-2-enoyloxyhexanoic acid is C=CC(=O)OC(C)CC(CC(=O)O)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxycarbonyl-5-prop-2-enoyloxyhexanoic acid?
The InChIKey is ASZUZWIEXJUVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO6/c1-8-17(24)26-13(2)9-14(10-16(22)23)18(25)27-15-11-19(3,4)21(7)20(5,6)12-15/h8,13-15H,1,9-12H2,2-7H3,(H,22,23).
What are the key properties of 3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxycarbonyl-5-prop-2-enoyloxyhexanoic acid?
3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxycarbonyl-5-prop-2-enoyloxyhexanoic acid has a molecular weight of 383.49 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxycarbonyl-5-prop-2-enoyloxyhexanoic acid is sourced from PubChem (CID 141419090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).