[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxycyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate

C26H46N2O4 — CID 140895326

IUPAC[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxycyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate
SMILESCN1C(C)(C)CC(C(=O)OC2CCC(OC(=O)C3CC(C)(C)N(C)C3(C)C)CC2)C1(C)C
InChIInChI=1S/C26H46N2O4/c1-23(2)15-19(25(5,6)27(23)9)21(29)31-17-11-13-18(14-12-17)32-22(30)20-16-24(3,4)28(10)26(20,7)8/h17-20H,11-16H2,1-10H3
InChIKeyKUOCPVQGIFWDSX-UHFFFAOYSA-N
MW450.66 g/mol
LogP4.40
Rot. Bonds4

About [4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxycyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate

[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxycyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate (PubChem CID 140895326) has the molecular formula C26H46N2O4 and a molecular weight of 450.66 g/mol. Its IUPAC name is [4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxycyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxycyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate
PubChem CID140895326
Molecular FormulaC26H46N2O4
Molecular Weight450.66 g/mol
Exact Mass450.35
IUPAC Name[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxycyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate
SMILESCN1C(C)(C)CC(C(=O)OC2CCC(OC(=O)C3CC(C)(C)N(C)C3(C)C)CC2)C1(C)C
InChIInChI=1S/C26H46N2O4/c1-23(2)15-19(25(5,6)27(23)9)21(29)31-17-11-13-18(14-12-17)32-22(30)20-16-24(3,4)28(10)26(20,7)8/h17-20H,11-16H2,1-10H3
InChIKeyKUOCPVQGIFWDSX-UHFFFAOYSA-N
XLogP4.40
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.66
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxyoctyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate
CID 138724292
[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
3-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxypentyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate
CID 140895401
3-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxypropyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate
CID 138723925
(5-methyl-2-pyridinyl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate
CID 138724447
[3,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 138724462
[4-(4-methylphenoxy)carbonylcyclohexyl]methyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate
CID 138724194
7-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyheptyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 140895397
4-cyclopropyloxy-1,2,2,6,6-pentamethylpiperidine
CID 163909888
[4-[1-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(2,2,5,5-tetramethylpyrrolidin-3-yl)methanone
CID 138724229
1,2,2,4,6,6-hexamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) acetate
CID 158360818
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate
CID 162454117

Frequently Asked Questions

What is the IUPAC name of [4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxycyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate?
The IUPAC name of [4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxycyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate (CID 140895326) is [4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxycyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate.
What is the SMILES notation for [4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxycyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate?
The canonical SMILES for [4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxycyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate is CN1C(C)(C)CC(C(=O)OC2CCC(OC(=O)C3CC(C)(C)N(C)C3(C)C)CC2)C1(C)C.
What is the InChIKey of [4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxycyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate?
The InChIKey is KUOCPVQGIFWDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46N2O4/c1-23(2)15-19(25(5,6)27(23)9)21(29)31-17-11-13-18(14-12-17)32-22(30)20-16-24(3,4)28(10)26(20,7)8/h17-20H,11-16H2,1-10H3.
What are the key properties of [4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxycyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate?
[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxycyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate has a molecular weight of 450.66 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxycyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate is sourced from PubChem (CID 140895326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).