1-[(2,3-dimethoxyphenyl)-(furan-2-yl)methyl]piperidine-2-carboxylic acid

C19H23NO5 — CID 5041617

IUPAC1-[(2,3-dimethoxyphenyl)-(furan-2-yl)methyl]piperidine-2-carboxylic acid
SMILESCOc1cccc(C(c2ccco2)N2CCCCC2C(=O)O)c1OC
InChIInChI=1S/C19H23NO5/c1-23-16-9-5-7-13(18(16)24-2)17(15-10-6-12-25-15)20-11-4-3-8-14(20)19(21)22/h5-7,9-10,12,14,17H,3-4,8,11H2,1-2H3,(H,21,22)
InChIKeyRIDCIIGFWQRJSU-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.33
Rot. Bonds6

About 1-[(2,3-dimethoxyphenyl)-(furan-2-yl)methyl]piperidine-2-carboxylic acid

1-[(2,3-dimethoxyphenyl)-(furan-2-yl)methyl]piperidine-2-carboxylic acid (PubChem CID 5041617) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-[(2,3-dimethoxyphenyl)-(furan-2-yl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2,3-dimethoxyphenyl)-(furan-2-yl)methyl]piperidine-2-carboxylic acid
PubChem CID5041617
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Name1-[(2,3-dimethoxyphenyl)-(furan-2-yl)methyl]piperidine-2-carboxylic acid
SMILESCOc1cccc(C(c2ccco2)N2CCCCC2C(=O)O)c1OC
InChIInChI=1S/C19H23NO5/c1-23-16-9-5-7-13(18(16)24-2)17(15-10-6-12-25-15)20-11-4-3-8-14(20)19(21)22/h5-7,9-10,12,14,17H,3-4,8,11H2,1-2H3,(H,21,22)
InChIKeyRIDCIIGFWQRJSU-UHFFFAOYSA-N
XLogP3.33
TPSA72.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-bromophenyl)-(2,3-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 4645105
1-[(2,3-dimethoxyphenyl)-(4-methylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4036700
1-[furan-2-yl-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 4203108
1-[(2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3966588
1-[furan-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid
CID 4281079
1-[(2,3-dichlorophenyl)-(2,3,4-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3970544
1-[(3-fluoro-4-methoxyphenyl)-(furan-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 4298057
1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 4568163
1-[furan-2-yl-[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 5178360
1-[(2-methoxyphenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3880673
1-[(3-methylphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3350055
1-[(2-bromophenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 4683432

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethoxyphenyl)-(furan-2-yl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(2,3-dimethoxyphenyl)-(furan-2-yl)methyl]piperidine-2-carboxylic acid (CID 5041617) is 1-[(2,3-dimethoxyphenyl)-(furan-2-yl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2,3-dimethoxyphenyl)-(furan-2-yl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2,3-dimethoxyphenyl)-(furan-2-yl)methyl]piperidine-2-carboxylic acid is COc1cccc(C(c2ccco2)N2CCCCC2C(=O)O)c1OC.
What is the InChIKey of 1-[(2,3-dimethoxyphenyl)-(furan-2-yl)methyl]piperidine-2-carboxylic acid?
The InChIKey is RIDCIIGFWQRJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-23-16-9-5-7-13(18(16)24-2)17(15-10-6-12-25-15)20-11-4-3-8-14(20)19(21)22/h5-7,9-10,12,14,17H,3-4,8,11H2,1-2H3,(H,21,22).
What are the key properties of 1-[(2,3-dimethoxyphenyl)-(furan-2-yl)methyl]piperidine-2-carboxylic acid?
1-[(2,3-dimethoxyphenyl)-(furan-2-yl)methyl]piperidine-2-carboxylic acid has a molecular weight of 345.40 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethoxyphenyl)-(furan-2-yl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 5041617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).