(3R)-1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-3-carboxylic acid

C17H18N2O4 — CID 99718288

IUPAC(3R)-1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-3-carboxylic acid
SMILESCc1nc(-c2ccco2)ccc1C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C17H18N2O4/c1-11-13(6-7-14(18-11)15-5-3-9-23-15)16(20)19-8-2-4-12(10-19)17(21)22/h3,5-7,9,12H,2,4,8,10H2,1H3,(H,21,22)/t12-/m1/s1
InChIKeyZHAXOAGBBTYZGL-GFCCVEGCSA-N
MW314.34 g/mol
LogP2.59
Rot. Bonds3

About (3R)-1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-3-carboxylic acid

(3R)-1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-3-carboxylic acid (PubChem CID 99718288) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is (3R)-1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-3-carboxylic acid
PubChem CID99718288
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name(3R)-1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-3-carboxylic acid
SMILESCc1nc(-c2ccco2)ccc1C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C17H18N2O4/c1-11-13(6-7-14(18-11)15-5-3-9-23-15)16(20)19-8-2-4-12(10-19)17(21)22/h3,5-7,9,12H,2,4,8,10H2,1H3,(H,21,22)/t12-/m1/s1
InChIKeyZHAXOAGBBTYZGL-GFCCVEGCSA-N
XLogP2.59
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(furan-2-yl)-2-methyl-3-pyridinyl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 95296331
[(3R)-3-aminopyrrolidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone
CID 119410101
1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-2-carboxylic acid
CID 102553983
[4-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone
CID 119517591
1-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119167777
(3S)-1-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119174167
(4-amino-3,3-dimethylpiperidin-1-yl)-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride
CID 120818933
1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylic acid
CID 43171030
[4-(ethylaminomethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride
CID 119645055
[4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride
CID 119622400
(3-hydroxypiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110883825
(3S)-1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-3-carboxylic acid
CID 99638821

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-3-carboxylic acid (CID 99718288) is (3R)-1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-3-carboxylic acid is Cc1nc(-c2ccco2)ccc1C(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is ZHAXOAGBBTYZGL-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11-13(6-7-14(18-11)15-5-3-9-23-15)16(20)19-8-2-4-12(10-19)17(21)22/h3,5-7,9,12H,2,4,8,10H2,1H3,(H,21,22)/t12-/m1/s1.
What are the key properties of (3R)-1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-3-carboxylic acid?
(3R)-1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 314.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 99718288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).