5-[(3-cyclobutyloxypiperidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid

C16H23NO4 — CID 138004391

IUPAC5-[(3-cyclobutyloxypiperidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid
SMILESCc1cc(CN2CCCC(OC3CCC3)C2)oc1C(=O)O
InChIInChI=1S/C16H23NO4/c1-11-8-14(21-15(11)16(18)19)10-17-7-3-6-13(9-17)20-12-4-2-5-12/h8,12-13H,2-7,9-10H2,1H3,(H,18,19)
InChIKeyFKQSSOOWEJTEIM-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.82
Rot. Bonds5

About 5-[(3-cyclobutyloxypiperidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid

5-[(3-cyclobutyloxypiperidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid (PubChem CID 138004391) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 5-[(3-cyclobutyloxypiperidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-cyclobutyloxypiperidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid
PubChem CID138004391
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name5-[(3-cyclobutyloxypiperidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid
SMILESCc1cc(CN2CCCC(OC3CCC3)C2)oc1C(=O)O
InChIInChI=1S/C16H23NO4/c1-11-8-14(21-15(11)16(18)19)10-17-7-3-6-13(9-17)20-12-4-2-5-12/h8,12-13H,2-7,9-10H2,1H3,(H,18,19)
InChIKeyFKQSSOOWEJTEIM-UHFFFAOYSA-N
XLogP2.82
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-ethylpiperidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 43621112
methyl 5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylate
CID 62355956
3-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 43621030
5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-3-methylfuran-2-carboxylic acid
CID 104967824
5-[(4,4-dimethylazepan-1-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 65281605
5-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]-3-methylfuran-2-carboxylic acid
CID 107223516
5-[(2-ethylmorpholin-4-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 43621103
5-[[2-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]-3-methylfuran-2-carboxylic acid
CID 112748717
5-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylic acid
CID 106836377
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-methylfuran-2-carbohydrazide
CID 115562526
3-methyl-5-[(3-methyl-4-phenylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 136570155
methyl 5-[[(3S)-3-(methanesulfonamido)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylate
CID 94032684

Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyclobutyloxypiperidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid?
The IUPAC name of 5-[(3-cyclobutyloxypiperidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid (CID 138004391) is 5-[(3-cyclobutyloxypiperidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid.
What is the SMILES notation for 5-[(3-cyclobutyloxypiperidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid?
The canonical SMILES for 5-[(3-cyclobutyloxypiperidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid is Cc1cc(CN2CCCC(OC3CCC3)C2)oc1C(=O)O.
What is the InChIKey of 5-[(3-cyclobutyloxypiperidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid?
The InChIKey is FKQSSOOWEJTEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11-8-14(21-15(11)16(18)19)10-17-7-3-6-13(9-17)20-12-4-2-5-12/h8,12-13H,2-7,9-10H2,1H3,(H,18,19).
What are the key properties of 5-[(3-cyclobutyloxypiperidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid?
5-[(3-cyclobutyloxypiperidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid has a molecular weight of 293.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-cyclobutyloxypiperidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid is sourced from PubChem (CID 138004391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).