5-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]furan-2-carboxylic acid

C16H17NO5 — CID 124692737

IUPAC5-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]furan-2-carboxylic acid
SMILESC[C@@H]1CCN(C(=O)c2ccc(C(=O)O)o2)[C@H](c2ccco2)C1
InChIInChI=1S/C16H17NO5/c1-10-6-7-17(11(9-10)12-3-2-8-21-12)15(18)13-4-5-14(22-13)16(19)20/h2-5,8,10-11H,6-7,9H2,1H3,(H,19,20)/t10-,11+/m1/s1
InChIKeyGRVQKZLFNJNEFN-MNOVXSKESA-N
MW303.31 g/mol
LogP3.18
Rot. Bonds3

About 5-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]furan-2-carboxylic acid

5-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]furan-2-carboxylic acid (PubChem CID 124692737) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is 5-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]furan-2-carboxylic acid
PubChem CID124692737
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name5-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]furan-2-carboxylic acid
SMILESC[C@@H]1CCN(C(=O)c2ccc(C(=O)O)o2)[C@H](c2ccco2)C1
InChIInChI=1S/C16H17NO5/c1-10-6-7-17(11(9-10)12-3-2-8-21-12)15(18)13-4-5-14(22-13)16(19)20/h2-5,8,10-11H,6-7,9H2,1H3,(H,19,20)/t10-,11+/m1/s1
InChIKeyGRVQKZLFNJNEFN-MNOVXSKESA-N
XLogP3.18
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]furan-2-carboxylic acid with MolForge

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Related Compounds

cis-(1S,2R)-2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125132569
3-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]-1H-pyridin-2-one
CID 71989321
[2-(furan-2-yl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 71989316
5-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]thiophene-3-carboxamide
CID 71989320
4-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 71869689
[2-(furan-2-yl)pyrrolidin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone
CID 86960921
[2-(furan-2-yl)azepan-1-yl]-[5-(methylsulfanylmethyl)furan-2-yl]methanone
CID 70706464
N-[2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 95990597
N-(1-tert-butylpyrazol-4-yl)-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide
CID 86816682
(2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide
CID 99705566
3-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-N-methylpropanamide
CID 99106920
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide
CID 86799787

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]furan-2-carboxylic acid (CID 124692737) is 5-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]furan-2-carboxylic acid is C[C@@H]1CCN(C(=O)c2ccc(C(=O)O)o2)[C@H](c2ccco2)C1.
What is the InChIKey of 5-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]furan-2-carboxylic acid?
The InChIKey is GRVQKZLFNJNEFN-MNOVXSKESA-N. The full InChI is InChI=1S/C16H17NO5/c1-10-6-7-17(11(9-10)12-3-2-8-21-12)15(18)13-4-5-14(22-13)16(19)20/h2-5,8,10-11H,6-7,9H2,1H3,(H,19,20)/t10-,11+/m1/s1.
What are the key properties of 5-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]furan-2-carboxylic acid?
5-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]furan-2-carboxylic acid has a molecular weight of 303.31 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]furan-2-carboxylic acid is sourced from PubChem (CID 124692737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).