1-[3-(furan-2-yl)propanoyl]-4-(2-methylphenoxy)piperidine-4-carboxylic acid

C20H23NO5 — CID 56886349

IUPAC1-[3-(furan-2-yl)propanoyl]-4-(2-methylphenoxy)piperidine-4-carboxylic acid
SMILESCc1ccccc1OC1(C(=O)O)CCN(C(=O)CCc2ccco2)CC1
InChIInChI=1S/C20H23NO5/c1-15-5-2-3-7-17(15)26-20(19(23)24)10-12-21(13-11-20)18(22)9-8-16-6-4-14-25-16/h2-7,14H,8-13H2,1H3,(H,23,24)
InChIKeyCOFJOPHFJHQQJS-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.05
Rot. Bonds6

About 1-[3-(furan-2-yl)propanoyl]-4-(2-methylphenoxy)piperidine-4-carboxylic acid

1-[3-(furan-2-yl)propanoyl]-4-(2-methylphenoxy)piperidine-4-carboxylic acid (PubChem CID 56886349) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-[3-(furan-2-yl)propanoyl]-4-(2-methylphenoxy)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(furan-2-yl)propanoyl]-4-(2-methylphenoxy)piperidine-4-carboxylic acid
PubChem CID56886349
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name1-[3-(furan-2-yl)propanoyl]-4-(2-methylphenoxy)piperidine-4-carboxylic acid
SMILESCc1ccccc1OC1(C(=O)O)CCN(C(=O)CCc2ccco2)CC1
InChIInChI=1S/C20H23NO5/c1-15-5-2-3-7-17(15)26-20(19(23)24)10-12-21(13-11-20)18(22)9-8-16-6-4-14-25-16/h2-7,14H,8-13H2,1H3,(H,23,24)
InChIKeyCOFJOPHFJHQQJS-UHFFFAOYSA-N
XLogP3.05
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)acetyl]-4-(2-methylphenoxy)piperidine-4-carboxylic acid
CID 56905537
4-(2-methylphenoxy)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 56907332
4-(2-methylphenoxy)-1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidine-4-carboxylic acid
CID 95862242
4-(2-methylphenoxy)-1-[(2S)-2-pyrrol-1-ylpropanoyl]piperidine-4-carboxylic acid
CID 95867518
4-(2-methylphenoxy)-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 56901351
4-(2-methylphenoxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid
CID 56889702
1-[3-(furan-2-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 56914941
1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(furan-2-yl)propan-1-one
CID 56819353
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 78781102
1-(4-benzylidenepiperidin-1-yl)-3-(furan-2-yl)propan-1-one
CID 75408323
3-(furan-2-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 54923480
1-(3-cyclopropylpropanoyl)-4-(2-fluorophenoxy)piperidine-4-carboxylic acid
CID 56894387

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-yl)propanoyl]-4-(2-methylphenoxy)piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-(furan-2-yl)propanoyl]-4-(2-methylphenoxy)piperidine-4-carboxylic acid (CID 56886349) is 1-[3-(furan-2-yl)propanoyl]-4-(2-methylphenoxy)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-(furan-2-yl)propanoyl]-4-(2-methylphenoxy)piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-(furan-2-yl)propanoyl]-4-(2-methylphenoxy)piperidine-4-carboxylic acid is Cc1ccccc1OC1(C(=O)O)CCN(C(=O)CCc2ccco2)CC1.
What is the InChIKey of 1-[3-(furan-2-yl)propanoyl]-4-(2-methylphenoxy)piperidine-4-carboxylic acid?
The InChIKey is COFJOPHFJHQQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-15-5-2-3-7-17(15)26-20(19(23)24)10-12-21(13-11-20)18(22)9-8-16-6-4-14-25-16/h2-7,14H,8-13H2,1H3,(H,23,24).
What are the key properties of 1-[3-(furan-2-yl)propanoyl]-4-(2-methylphenoxy)piperidine-4-carboxylic acid?
1-[3-(furan-2-yl)propanoyl]-4-(2-methylphenoxy)piperidine-4-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-yl)propanoyl]-4-(2-methylphenoxy)piperidine-4-carboxylic acid is sourced from PubChem (CID 56886349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).