[4-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxymethyl]cyclohexyl]cyclohexyl]methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate

C32H56N2O4 — CID 138724207

IUPAC[4-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxymethyl]cyclohexyl]cyclohexyl]methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate
SMILESCC1(C)CC(C(=O)OCC2CCC(C3CCC(COC(=O)C4CC(C)(C)NC4(C)C)CC3)CC2)C(C)(C)N1
InChIInChI=1S/C32H56N2O4/c1-29(2)17-25(31(5,6)33-29)27(35)37-19-21-9-13-23(14-10-21)24-15-11-22(12-16-24)20-38-28(36)26-18-30(3,4)34-32(26,7)8/h21-26,33-34H,9-20H2,1-8H3
InChIKeyTVBBNTDZHVFGGA-UHFFFAOYSA-N
MW532.81 g/mol
LogP6.02
Rot. Bonds7

About [4-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxymethyl]cyclohexyl]cyclohexyl]methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate

[4-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxymethyl]cyclohexyl]cyclohexyl]methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate (PubChem CID 138724207) has the molecular formula C32H56N2O4 and a molecular weight of 532.81 g/mol. Its IUPAC name is [4-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxymethyl]cyclohexyl]cyclohexyl]methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[4-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxymethyl]cyclohexyl]cyclohexyl]methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate
PubChem CID138724207
Molecular FormulaC32H56N2O4
Molecular Weight532.81 g/mol
Exact Mass532.42
IUPAC Name[4-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxymethyl]cyclohexyl]cyclohexyl]methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate
SMILESCC1(C)CC(C(=O)OCC2CCC(C3CCC(COC(=O)C4CC(C)(C)NC4(C)C)CC3)CC2)C(C)(C)N1
InChIInChI=1S/C32H56N2O4/c1-29(2)17-25(31(5,6)33-29)27(35)37-19-21-9-13-23(14-10-21)24-15-11-22(12-16-24)20-38-28(36)26-18-30(3,4)34-32(26,7)8/h21-26,33-34H,9-20H2,1-8H3
InChIKeyTVBBNTDZHVFGGA-UHFFFAOYSA-N
XLogP6.02
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.81
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxymethyl]cyclohexyl]cyclohexyl]methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate with MolForge

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Related Compounds

[4-[4-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxycyclohexyl]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxycyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-[4-[2-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyethyl]cyclohexyl]cyclohexyl]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-[2-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyethyl]cyclohexyl]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxymethyl]cyclohexyl]cyclohexyl]methyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxymethyl]cyclohexyl]methyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate
CID 160998933
[4-[(4-methylcyclohexyl)carbamoyl]cyclohexyl]methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 146527730
7-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyheptyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 138723922
2-[3,5-bis[2-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyethoxy]cyclohexyl]oxyethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 138724284
3-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxypropyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate
CID 138723925
bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclohexane-1,4-dicarboxylate
CID 138723963
6-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyoctyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 138723933
[1-(2,2,4,4-tetramethylcyclopentanecarbonyl)oxy-2,2-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]ethyl] 2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 157121915
cyclopropylmethyl methyl carbonate
CID 54535586
(2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate
CID 141004528
[4-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl] carbamate
CID 152771245
methyl 4-[4-(methoxymethyl)cyclohexyl]cyclohexane-1-carboxylate
CID 70500440

Frequently Asked Questions

What is the IUPAC name of [4-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxymethyl]cyclohexyl]cyclohexyl]methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate?
The IUPAC name of [4-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxymethyl]cyclohexyl]cyclohexyl]methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate (CID 138724207) is [4-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxymethyl]cyclohexyl]cyclohexyl]methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate.
What is the SMILES notation for [4-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxymethyl]cyclohexyl]cyclohexyl]methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate?
The canonical SMILES for [4-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxymethyl]cyclohexyl]cyclohexyl]methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate is CC1(C)CC(C(=O)OCC2CCC(C3CCC(COC(=O)C4CC(C)(C)NC4(C)C)CC3)CC2)C(C)(C)N1.
What is the InChIKey of [4-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxymethyl]cyclohexyl]cyclohexyl]methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate?
The InChIKey is TVBBNTDZHVFGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56N2O4/c1-29(2)17-25(31(5,6)33-29)27(35)37-19-21-9-13-23(14-10-21)24-15-11-22(12-16-24)20-38-28(36)26-18-30(3,4)34-32(26,7)8/h21-26,33-34H,9-20H2,1-8H3.
What are the key properties of [4-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxymethyl]cyclohexyl]cyclohexyl]methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate?
[4-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxymethyl]cyclohexyl]cyclohexyl]methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate has a molecular weight of 532.81 g/mol, XLogP of 6.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxymethyl]cyclohexyl]cyclohexyl]methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate is sourced from PubChem (CID 138724207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).