5-[[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenoxy]methyl]furan-2-carboxylic acid

C20H26N2O4 — CID 74237158

IUPAC5-[[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenoxy]methyl]furan-2-carboxylic acid
SMILESCN(C)C1CCN(Cc2ccc(OCc3ccc(C(=O)O)o3)cc2)CC1
InChIInChI=1S/C20H26N2O4/c1-21(2)16-9-11-22(12-10-16)13-15-3-5-17(6-4-15)25-14-18-7-8-19(26-18)20(23)24/h3-8,16H,9-14H2,1-2H3,(H,23,24)
InChIKeyXOVSEFLLTPWUIG-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.08
Rot. Bonds7

About 5-[[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenoxy]methyl]furan-2-carboxylic acid

5-[[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenoxy]methyl]furan-2-carboxylic acid (PubChem CID 74237158) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 5-[[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenoxy]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenoxy]methyl]furan-2-carboxylic acid
PubChem CID74237158
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name5-[[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenoxy]methyl]furan-2-carboxylic acid
SMILESCN(C)C1CCN(Cc2ccc(OCc3ccc(C(=O)O)o3)cc2)CC1
InChIInChI=1S/C20H26N2O4/c1-21(2)16-9-11-22(12-10-16)13-15-3-5-17(6-4-15)25-14-18-7-8-19(26-18)20(23)24/h3-8,16H,9-14H2,1-2H3,(H,23,24)
InChIKeyXOVSEFLLTPWUIG-UHFFFAOYSA-N
XLogP3.08
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-(2-cyclohexylpropan-2-yl)phenoxy]methyl]furan-2-carboxylic acid
CID 10382765
5-[(4-methylsulfonylphenoxy)methyl]furan-2-carboxylic acid
CID 43806772
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 78829498
5-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]furan-2-carboxylic acid
CID 22683768
5-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide
CID 19451165
1-[4-[[5-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]furan-2-yl]methoxy]phenyl]ethanone
CID 19325489
3-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]prop-2-enoic acid
CID 76908171
5-[[4-[(2S)-butan-2-yl]phenoxy]methyl]furan-2-carboxylic acid
CID 725859
5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxylic acid
CID 725878
[5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325456
2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 105351724
2-[4-[(4-methylpiperidin-1-yl)methyl]phenoxy]acetic acid
CID 23378235

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenoxy]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenoxy]methyl]furan-2-carboxylic acid (CID 74237158) is 5-[[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenoxy]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenoxy]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenoxy]methyl]furan-2-carboxylic acid is CN(C)C1CCN(Cc2ccc(OCc3ccc(C(=O)O)o3)cc2)CC1.
What is the InChIKey of 5-[[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenoxy]methyl]furan-2-carboxylic acid?
The InChIKey is XOVSEFLLTPWUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-21(2)16-9-11-22(12-10-16)13-15-3-5-17(6-4-15)25-14-18-7-8-19(26-18)20(23)24/h3-8,16H,9-14H2,1-2H3,(H,23,24).
What are the key properties of 5-[[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenoxy]methyl]furan-2-carboxylic acid?
5-[[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenoxy]methyl]furan-2-carboxylic acid has a molecular weight of 358.44 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenoxy]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 74237158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).