(2R)-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-2-carboxylic acid

C14H19NO4 — CID 79034665

IUPAC(2R)-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-2-carboxylic acid
SMILESCc1oc(C)c(C(=O)N2CCCC[C@@H]2C(=O)O)c1C
InChIInChI=1S/C14H19NO4/c1-8-9(2)19-10(3)12(8)13(16)15-7-5-4-6-11(15)14(17)18/h11H,4-7H2,1-3H3,(H,17,18)/t11-/m1/s1
InChIKeyOSKSQAFUSSMCTH-LLVKDONJSA-N
MW265.31 g/mol
LogP2.28
Rot. Bonds2

About (2R)-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-2-carboxylic acid

(2R)-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-2-carboxylic acid (PubChem CID 79034665) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2R)-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-2-carboxylic acid
PubChem CID79034665
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(2R)-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-2-carboxylic acid
SMILESCc1oc(C)c(C(=O)N2CCCC[C@@H]2C(=O)O)c1C
InChIInChI=1S/C14H19NO4/c1-8-9(2)19-10(3)12(8)13(16)15-7-5-4-6-11(15)14(17)18/h11H,4-7H2,1-3H3,(H,17,18)/t11-/m1/s1
InChIKeyOSKSQAFUSSMCTH-LLVKDONJSA-N
XLogP2.28
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-2-carboxylic 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

N'-hydroxy-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-2-carboximidamide
CID 77057582
1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidine-2-carbothioamide
CID 65153528
2-[1-(2,4,5-trimethylfuran-3-carbonyl)piperidin-2-yl]acetic acid
CID 61009564
(2R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 28777862
5-oxo-1-(2,4,5-trimethylfuran-3-carbonyl)piperazine-2-carboxylic acid
CID 107433194
1-(2,4,6-trimethylbenzoyl)pyrrolidine-2-carboxylic acid
CID 15324304
2-[1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79539002
(2R)-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid
CID 120537508
(2S)-1-(3-chloro-2-methylbenzoyl)piperidine-2-carboxylic acid
CID 107095991
1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylic acid
CID 3150890
1-(2,3-dimethylbenzoyl)piperidine-2-carboxylic acid
CID 16790921
(2S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 81454302

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-2-carboxylic acid (CID 79034665) is (2R)-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-2-carboxylic acid is Cc1oc(C)c(C(=O)N2CCCC[C@@H]2C(=O)O)c1C.
What is the InChIKey of (2R)-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is OSKSQAFUSSMCTH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19NO4/c1-8-9(2)19-10(3)12(8)13(16)15-7-5-4-6-11(15)14(17)18/h11H,4-7H2,1-3H3,(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-2-carboxylic acid?
(2R)-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 79034665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).