1-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]piperidine-4-carboxylic acid

C19H21NO5 — CID 122035756

IUPAC1-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]piperidine-4-carboxylic acid
SMILESCOC(=O)c1ccc(-c2ccc(CN3CCC(C(=O)O)CC3)o2)cc1
InChIInChI=1S/C19H21NO5/c1-24-19(23)15-4-2-13(3-5-15)17-7-6-16(25-17)12-20-10-8-14(9-11-20)18(21)22/h2-7,14H,8-12H2,1H3,(H,21,22)
InChIKeyUFTDXTQZUCAZFF-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.03
Rot. Bonds5

About 1-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]piperidine-4-carboxylic acid

1-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]piperidine-4-carboxylic acid (PubChem CID 122035756) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 1-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]piperidine-4-carboxylic acid
PubChem CID122035756
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name1-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]piperidine-4-carboxylic acid
SMILESCOC(=O)c1ccc(-c2ccc(CN3CCC(C(=O)O)CC3)o2)cc1
InChIInChI=1S/C19H21NO5/c1-24-19(23)15-4-2-13(3-5-15)17-7-6-16(25-17)12-20-10-8-14(9-11-20)18(21)22/h2-7,14H,8-12H2,1H3,(H,21,22)
InChIKeyUFTDXTQZUCAZFF-UHFFFAOYSA-N
XLogP3.03
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 63032039
methyl 4-[5-[(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]benzoate
CID 70777952
1-[[5-(2-methoxycarbonylphenyl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 122036361
1-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 122036293
2-[methyl-[1-[[5-(4-methylphenyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid
CID 122042886
1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidine-4-carboxylic acid
CID 65056448
methyl 4-[5-[[[(2S)-oxolan-2-yl]methylamino]methyl]furan-2-yl]benzoate
CID 8636615
N-[1-[[5-(4-ethylphenyl)furan-2-yl]methyl]piperidin-4-yl]ethanesulfonamide
CID 126813477
methyl 4-[5-[[[(2S)-2-hydroxypropyl]amino]methyl]furan-2-yl]benzoate
CID 8636670
methyl 4-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methylcarbamoylamino]benzoate
CID 118789012
1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119907230
methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 652979

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]piperidine-4-carboxylic acid (CID 122035756) is 1-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]piperidine-4-carboxylic acid is COC(=O)c1ccc(-c2ccc(CN3CCC(C(=O)O)CC3)o2)cc1.
What is the InChIKey of 1-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]piperidine-4-carboxylic acid?
The InChIKey is UFTDXTQZUCAZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-24-19(23)15-4-2-13(3-5-15)17-7-6-16(25-17)12-20-10-8-14(9-11-20)18(21)22/h2-7,14H,8-12H2,1H3,(H,21,22).
What are the key properties of 1-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]piperidine-4-carboxylic acid?
1-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]piperidine-4-carboxylic acid has a molecular weight of 343.38 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122035756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).