2-[1-(2,4,5-trimethyloxolane-3-carbonyl)piperidin-4-yl]acetic acid

C15H25NO4 — CID 79615306

IUPAC2-[1-(2,4,5-trimethyloxolane-3-carbonyl)piperidin-4-yl]acetic acid
SMILESCC1OC(C)C(C(=O)N2CCC(CC(=O)O)CC2)C1C
InChIInChI=1S/C15H25NO4/c1-9-10(2)20-11(3)14(9)15(19)16-6-4-12(5-7-16)8-13(17)18/h9-12,14H,4-8H2,1-3H3,(H,17,18)
InChIKeyDOGPQGHFAMEEEG-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.76
Rot. Bonds3

About 2-[1-(2,4,5-trimethyloxolane-3-carbonyl)piperidin-4-yl]acetic acid

2-[1-(2,4,5-trimethyloxolane-3-carbonyl)piperidin-4-yl]acetic acid (PubChem CID 79615306) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[1-(2,4,5-trimethyloxolane-3-carbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,4,5-trimethyloxolane-3-carbonyl)piperidin-4-yl]acetic acid
PubChem CID79615306
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-[1-(2,4,5-trimethyloxolane-3-carbonyl)piperidin-4-yl]acetic acid
SMILESCC1OC(C)C(C(=O)N2CCC(CC(=O)O)CC2)C1C
InChIInChI=1S/C15H25NO4/c1-9-10(2)20-11(3)14(9)15(19)16-6-4-12(5-7-16)8-13(17)18/h9-12,14H,4-8H2,1-3H3,(H,17,18)
InChIKeyDOGPQGHFAMEEEG-UHFFFAOYSA-N
XLogP1.76
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(chloromethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone
CID 65159239
[3-(bromomethyl)pyrrolidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone
CID 80666651
1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 65157522
methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboxylate
CID 65160002
N'-hydroxy-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboximidamide
CID 77057802
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone
CID 115313979
[4-(2-chloroethyl)piperazin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone
CID 65159539
2-[4-(2,4,5-trimethyloxolane-3-carbonyl)piperazin-1-yl]propanoic acid
CID 65157041
(4-bromo-3,3-dimethylpiperidin-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
CID 112747394
2-[1-(cycloheptanecarbonyl)piperidin-4-yl]acetic acid
CID 79614731
(3-bromopiperidin-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
CID 80660679
2-[1-(4-methylidenecyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 138029014

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4,5-trimethyloxolane-3-carbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(2,4,5-trimethyloxolane-3-carbonyl)piperidin-4-yl]acetic acid (CID 79615306) is 2-[1-(2,4,5-trimethyloxolane-3-carbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,4,5-trimethyloxolane-3-carbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2,4,5-trimethyloxolane-3-carbonyl)piperidin-4-yl]acetic acid is CC1OC(C)C(C(=O)N2CCC(CC(=O)O)CC2)C1C.
What is the InChIKey of 2-[1-(2,4,5-trimethyloxolane-3-carbonyl)piperidin-4-yl]acetic acid?
The InChIKey is DOGPQGHFAMEEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-9-10(2)20-11(3)14(9)15(19)16-6-4-12(5-7-16)8-13(17)18/h9-12,14H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-(2,4,5-trimethyloxolane-3-carbonyl)piperidin-4-yl]acetic acid?
2-[1-(2,4,5-trimethyloxolane-3-carbonyl)piperidin-4-yl]acetic acid has a molecular weight of 283.37 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4,5-trimethyloxolane-3-carbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 79615306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).