[4-[(1,2,2,6,6-pentamethylpiperidine-4-carbonyl)oxymethyl]cyclohexyl]methyl 1,2,2,6,6-pentamethylpiperidine-4-carboxylate

C30H54N2O4 — CID 20566790

IUPAC[4-[(1,2,2,6,6-pentamethylpiperidine-4-carbonyl)oxymethyl]cyclohexyl]methyl 1,2,2,6,6-pentamethylpiperidine-4-carboxylate
SMILESCN1C(C)(C)CC(C(=O)OCC2CCC(COC(=O)C3CC(C)(C)N(C)C(C)(C)C3)CC2)CC1(C)C
InChIInChI=1S/C30H54N2O4/c1-27(2)15-23(16-28(3,4)31(27)9)25(33)35-19-21-11-13-22(14-12-21)20-36-26(34)24-17-29(5,6)32(10)30(7,8)18-24/h21-24H,11-20H2,1-10H3
InChIKeyZOHKFBVQELFOPN-UHFFFAOYSA-N
MW506.77 g/mol
LogP5.68
Rot. Bonds6

About [4-[(1,2,2,6,6-pentamethylpiperidine-4-carbonyl)oxymethyl]cyclohexyl]methyl 1,2,2,6,6-pentamethylpiperidine-4-carboxylate

[4-[(1,2,2,6,6-pentamethylpiperidine-4-carbonyl)oxymethyl]cyclohexyl]methyl 1,2,2,6,6-pentamethylpiperidine-4-carboxylate (PubChem CID 20566790) has the molecular formula C30H54N2O4 and a molecular weight of 506.77 g/mol. Its IUPAC name is [4-[(1,2,2,6,6-pentamethylpiperidine-4-carbonyl)oxymethyl]cyclohexyl]methyl 1,2,2,6,6-pentamethylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[4-[(1,2,2,6,6-pentamethylpiperidine-4-carbonyl)oxymethyl]cyclohexyl]methyl 1,2,2,6,6-pentamethylpiperidine-4-carboxylate
PubChem CID20566790
Molecular FormulaC30H54N2O4
Molecular Weight506.77 g/mol
Exact Mass506.41
IUPAC Name[4-[(1,2,2,6,6-pentamethylpiperidine-4-carbonyl)oxymethyl]cyclohexyl]methyl 1,2,2,6,6-pentamethylpiperidine-4-carboxylate
SMILESCN1C(C)(C)CC(C(=O)OCC2CCC(COC(=O)C3CC(C)(C)N(C)C(C)(C)C3)CC2)CC1(C)C
InChIInChI=1S/C30H54N2O4/c1-27(2)15-23(16-28(3,4)31(27)9)25(33)35-19-21-11-13-22(14-12-21)20-36-26(34)24-17-29(5,6)32(10)30(7,8)18-24/h21-24H,11-20H2,1-10H3
InChIKeyZOHKFBVQELFOPN-UHFFFAOYSA-N
XLogP5.68
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.77
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[(1,2,2,6,6-pentamethylpiperidine-4-carbonyl)oxymethyl]cyclohexyl]methyl 1,2,2,6,6-pentamethylpiperidine-4-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[(1,2,2,6,6-pentamethylpiperidine-4-carbonyl)oxymethyl]cyclohexyl]methyl 1,2,2,6,6-pentamethylpiperidine-4-carboxylate?
The IUPAC name of [4-[(1,2,2,6,6-pentamethylpiperidine-4-carbonyl)oxymethyl]cyclohexyl]methyl 1,2,2,6,6-pentamethylpiperidine-4-carboxylate (CID 20566790) is [4-[(1,2,2,6,6-pentamethylpiperidine-4-carbonyl)oxymethyl]cyclohexyl]methyl 1,2,2,6,6-pentamethylpiperidine-4-carboxylate.
What is the SMILES notation for [4-[(1,2,2,6,6-pentamethylpiperidine-4-carbonyl)oxymethyl]cyclohexyl]methyl 1,2,2,6,6-pentamethylpiperidine-4-carboxylate?
The canonical SMILES for [4-[(1,2,2,6,6-pentamethylpiperidine-4-carbonyl)oxymethyl]cyclohexyl]methyl 1,2,2,6,6-pentamethylpiperidine-4-carboxylate is CN1C(C)(C)CC(C(=O)OCC2CCC(COC(=O)C3CC(C)(C)N(C)C(C)(C)C3)CC2)CC1(C)C.
What is the InChIKey of [4-[(1,2,2,6,6-pentamethylpiperidine-4-carbonyl)oxymethyl]cyclohexyl]methyl 1,2,2,6,6-pentamethylpiperidine-4-carboxylate?
The InChIKey is ZOHKFBVQELFOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54N2O4/c1-27(2)15-23(16-28(3,4)31(27)9)25(33)35-19-21-11-13-22(14-12-21)20-36-26(34)24-17-29(5,6)32(10)30(7,8)18-24/h21-24H,11-20H2,1-10H3.
What are the key properties of [4-[(1,2,2,6,6-pentamethylpiperidine-4-carbonyl)oxymethyl]cyclohexyl]methyl 1,2,2,6,6-pentamethylpiperidine-4-carboxylate?
[4-[(1,2,2,6,6-pentamethylpiperidine-4-carbonyl)oxymethyl]cyclohexyl]methyl 1,2,2,6,6-pentamethylpiperidine-4-carboxylate has a molecular weight of 506.77 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1,2,2,6,6-pentamethylpiperidine-4-carbonyl)oxymethyl]cyclohexyl]methyl 1,2,2,6,6-pentamethylpiperidine-4-carboxylate is sourced from PubChem (CID 20566790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).