5-[[[2-[3-(4-carboxyphenyl)piperidin-1-yl]acetyl]amino]methyl]furan-2-carboxylic acid

C20H22N2O6 — CID 72888055

IUPAC5-[[[2-[3-(4-carboxyphenyl)piperidin-1-yl]acetyl]amino]methyl]furan-2-carboxylic acid
SMILESO=C(CN1CCCC(c2ccc(C(=O)O)cc2)C1)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C20H22N2O6/c23-18(21-10-16-7-8-17(28-16)20(26)27)12-22-9-1-2-15(11-22)13-3-5-14(6-4-13)19(24)25/h3-8,15H,1-2,9-12H2,(H,21,23)(H,24,25)(H,26,27)
InChIKeyUEGDEUFYEGYAMM-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.17
Rot. Bonds7

About 5-[[[2-[3-(4-carboxyphenyl)piperidin-1-yl]acetyl]amino]methyl]furan-2-carboxylic acid

5-[[[2-[3-(4-carboxyphenyl)piperidin-1-yl]acetyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 72888055) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is 5-[[[2-[3-(4-carboxyphenyl)piperidin-1-yl]acetyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-[3-(4-carboxyphenyl)piperidin-1-yl]acetyl]amino]methyl]furan-2-carboxylic acid
PubChem CID72888055
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Name5-[[[2-[3-(4-carboxyphenyl)piperidin-1-yl]acetyl]amino]methyl]furan-2-carboxylic acid
SMILESO=C(CN1CCCC(c2ccc(C(=O)O)cc2)C1)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C20H22N2O6/c23-18(21-10-16-7-8-17(28-16)20(26)27)12-22-9-1-2-15(11-22)13-3-5-14(6-4-13)19(24)25/h3-8,15H,1-2,9-12H2,(H,21,23)(H,24,25)(H,26,27)
InChIKeyUEGDEUFYEGYAMM-UHFFFAOYSA-N
XLogP2.17
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[[[2-[3-(4-carboxyphenyl)piperidin-1-yl]acetyl]amino]methyl]furan-2-carboxylic acid with MolForge

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Related Compounds

5-[[[2-(4-phenylcyclohexyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 119246162
4-[(3S)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]benzoic acid
CID 97210621
4-[(3R)-1-(furan-2-ylmethylcarbamoyl)piperidin-3-yl]benzoic acid
CID 97203993
4-[1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]benzoic acid
CID 72934573
4-[(3R)-1-(3-cyclopropylpropanoyl)piperidin-3-yl]benzoic acid
CID 97193946
(3S,4S)-1-[2-[(5-carboxyfuran-2-yl)methylamino]-2-oxoethyl]-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
CID 70711829
4-[(3R)-1-[3-(cyclohexylamino)-3-oxopropyl]piperidin-3-yl]benzoic acid
CID 97196947
4-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]benzoic acid
CID 97209889
5-[(3-hydroxypiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 61434674
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918882
N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 29231189
4-[(3R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid
CID 97194980

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-[3-(4-carboxyphenyl)piperidin-1-yl]acetyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[2-[3-(4-carboxyphenyl)piperidin-1-yl]acetyl]amino]methyl]furan-2-carboxylic acid (CID 72888055) is 5-[[[2-[3-(4-carboxyphenyl)piperidin-1-yl]acetyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[2-[3-(4-carboxyphenyl)piperidin-1-yl]acetyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[2-[3-(4-carboxyphenyl)piperidin-1-yl]acetyl]amino]methyl]furan-2-carboxylic acid is O=C(CN1CCCC(c2ccc(C(=O)O)cc2)C1)NCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[[2-[3-(4-carboxyphenyl)piperidin-1-yl]acetyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is UEGDEUFYEGYAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6/c23-18(21-10-16-7-8-17(28-16)20(26)27)12-22-9-1-2-15(11-22)13-3-5-14(6-4-13)19(24)25/h3-8,15H,1-2,9-12H2,(H,21,23)(H,24,25)(H,26,27).
What are the key properties of 5-[[[2-[3-(4-carboxyphenyl)piperidin-1-yl]acetyl]amino]methyl]furan-2-carboxylic acid?
5-[[[2-[3-(4-carboxyphenyl)piperidin-1-yl]acetyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 386.40 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-[3-(4-carboxyphenyl)piperidin-1-yl]acetyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 72888055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).