2-[methyl-[1-[[5-(4-methylphenyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid

C20H26N2O3 — CID 122042886

IUPAC2-[methyl-[1-[[5-(4-methylphenyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid
SMILESCc1ccc(-c2ccc(CN3CCC(N(C)CC(=O)O)CC3)o2)cc1
InChIInChI=1S/C20H26N2O3/c1-15-3-5-16(6-4-15)19-8-7-18(25-19)13-22-11-9-17(10-12-22)21(2)14-20(23)24/h3-8,17H,9-14H2,1-2H3,(H,23,24)
InChIKeyNJHLTMWFTTYASR-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.24
Rot. Bonds6

About 2-[methyl-[1-[[5-(4-methylphenyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid

2-[methyl-[1-[[5-(4-methylphenyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid (PubChem CID 122042886) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[methyl-[1-[[5-(4-methylphenyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[1-[[5-(4-methylphenyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid
PubChem CID122042886
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-[methyl-[1-[[5-(4-methylphenyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid
SMILESCc1ccc(-c2ccc(CN3CCC(N(C)CC(=O)O)CC3)o2)cc1
InChIInChI=1S/C20H26N2O3/c1-15-3-5-16(6-4-15)19-8-7-18(25-19)13-22-11-9-17(10-12-22)21(2)14-20(23)24/h3-8,17H,9-14H2,1-2H3,(H,23,24)
InChIKeyNJHLTMWFTTYASR-UHFFFAOYSA-N
XLogP3.24
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-[[5-(4-methylphenyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid?
The IUPAC name of 2-[methyl-[1-[[5-(4-methylphenyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid (CID 122042886) is 2-[methyl-[1-[[5-(4-methylphenyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[1-[[5-(4-methylphenyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[1-[[5-(4-methylphenyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid is Cc1ccc(-c2ccc(CN3CCC(N(C)CC(=O)O)CC3)o2)cc1.
What is the InChIKey of 2-[methyl-[1-[[5-(4-methylphenyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid?
The InChIKey is NJHLTMWFTTYASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-15-3-5-16(6-4-15)19-8-7-18(25-19)13-22-11-9-17(10-12-22)21(2)14-20(23)24/h3-8,17H,9-14H2,1-2H3,(H,23,24).
What are the key properties of 2-[methyl-[1-[[5-(4-methylphenyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid?
2-[methyl-[1-[[5-(4-methylphenyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid has a molecular weight of 342.44 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-[[5-(4-methylphenyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid is sourced from PubChem (CID 122042886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).