1-[furan-2-yl-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid

C18H21NO4 — CID 4203108

IUPAC1-[furan-2-yl-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
SMILESCOc1ccc(C(c2ccco2)N2CCCCC2C(=O)O)cc1
InChIInChI=1S/C18H21NO4/c1-22-14-9-7-13(8-10-14)17(16-6-4-12-23-16)19-11-3-2-5-15(19)18(20)21/h4,6-10,12,15,17H,2-3,5,11H2,1H3,(H,20,21)
InChIKeyKZGKEHZMPRNMRT-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.32
Rot. Bonds5

About 1-[furan-2-yl-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid

1-[furan-2-yl-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 4203108) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-[furan-2-yl-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[furan-2-yl-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
PubChem CID4203108
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name1-[furan-2-yl-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
SMILESCOc1ccc(C(c2ccco2)N2CCCCC2C(=O)O)cc1
InChIInChI=1S/C18H21NO4/c1-22-14-9-7-13(8-10-14)17(16-6-4-12-23-16)19-11-3-2-5-15(19)18(20)21/h4,6-10,12,15,17H,2-3,5,11H2,1H3,(H,20,21)
InChIKeyKZGKEHZMPRNMRT-UHFFFAOYSA-N
XLogP3.32
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxyphenyl)-phenylmethyl]piperidine-2-carboxylic acid
CID 3881727
1-[furan-2-yl-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3506386
1-[(3-fluoro-4-methoxyphenyl)-(furan-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 4298057
1-[(2,3-dimethoxyphenyl)-(furan-2-yl)methyl]piperidine-2-carboxylic acid
CID 5041617
1-[(3-fluorophenyl)-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 4539396
1-[(4-methoxyphenyl)-thiophen-3-ylmethyl]piperidine-2-carboxylic acid
CID 3894359
1-[(4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid
CID 3368599
1-[1,3-benzothiazol-2-yl-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3894473
1-[(4-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid
CID 3946231
1-[(3,5-dimethylphenyl)-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 5219187
1-[furan-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid
CID 4281079
1-[(4-fluorophenyl)-(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3995411

Frequently Asked Questions

What is the IUPAC name of 1-[furan-2-yl-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[furan-2-yl-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid (CID 4203108) is 1-[furan-2-yl-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[furan-2-yl-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[furan-2-yl-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid is COc1ccc(C(c2ccco2)N2CCCCC2C(=O)O)cc1.
What is the InChIKey of 1-[furan-2-yl-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is KZGKEHZMPRNMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-22-14-9-7-13(8-10-14)17(16-6-4-12-23-16)19-11-3-2-5-15(19)18(20)21/h4,6-10,12,15,17H,2-3,5,11H2,1H3,(H,20,21).
What are the key properties of 1-[furan-2-yl-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid?
1-[furan-2-yl-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 315.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[furan-2-yl-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 4203108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).