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

C15H22N2O4 — CID 97468816

IUPAC(2R,4R)-4-(dimethylamino)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxylic acid
SMILESCc1cc(C(=O)N2CC[C@@H](N(C)C)C[C@@H]2C(=O)O)c(C)o1
InChIInChI=1S/C15H22N2O4/c1-9-7-12(10(2)21-9)14(18)17-6-5-11(16(3)4)8-13(17)15(19)20/h7,11,13H,5-6,8H2,1-4H3,(H,19,20)/t11-,13-/m1/s1
InChIKeyXJFKRPORFIZORJ-DGCLKSJQSA-N
MW294.35 g/mol
LogP1.52
Rot. Bonds3

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

(2R,4R)-4-(dimethylamino)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxylic acid (PubChem CID 97468816) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2R,4R)-4-(dimethylamino)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-(dimethylamino)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxylic acid
PubChem CID97468816
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name(2R,4R)-4-(dimethylamino)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxylic acid
SMILESCc1cc(C(=O)N2CC[C@@H](N(C)C)C[C@@H]2C(=O)O)c(C)o1
InChIInChI=1S/C15H22N2O4/c1-9-7-12(10(2)21-9)14(18)17-6-5-11(16(3)4)8-13(17)15(19)20/h7,11,13H,5-6,8H2,1-4H3,(H,19,20)/t11-,13-/m1/s1
InChIKeyXJFKRPORFIZORJ-DGCLKSJQSA-N
XLogP1.52
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-4-(2,5-dimethylfuran-3-carbonyl)morpholine-3-carboxylic acid
CID 124513696
3-(2,5-dimethylfuran-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 24692471
(2S)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxylate
CID 7414507
4-(dimethylamino)-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 134072245
(2R,4S)-4-(dimethylamino)-1-(3-fluoro-4-methylbenzoyl)piperidine-2-carboxylic acid
CID 97391072
[1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 42779978
(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 35523795
1-(2,5-dimethylfuran-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083917
[(3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 97458977
1-(4-cyanobenzoyl)-4-(dimethylamino)piperidine-2-carboxylic acid
CID 134078784
(2S)-1-(5-tert-butyl-2-methylfuran-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 672644
1-[3-[(2,5-dimethylfuran-3-carbonyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243639

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-(dimethylamino)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-(dimethylamino)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxylic acid (CID 97468816) is (2R,4R)-4-(dimethylamino)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-(dimethylamino)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-(dimethylamino)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxylic acid is Cc1cc(C(=O)N2CC[C@@H](N(C)C)C[C@@H]2C(=O)O)c(C)o1.
What is the InChIKey of (2R,4R)-4-(dimethylamino)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is XJFKRPORFIZORJ-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-9-7-12(10(2)21-9)14(18)17-6-5-11(16(3)4)8-13(17)15(19)20/h7,11,13H,5-6,8H2,1-4H3,(H,19,20)/t11-,13-/m1/s1.
What are the key properties of (2R,4R)-4-(dimethylamino)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxylic acid?
(2R,4R)-4-(dimethylamino)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-(dimethylamino)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 97468816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).