1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid

C19H24FNO3 — CID 46067458

IUPAC1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid
SMILESCc1cc(C2CCC(C(=O)O)CN2C(=O)C2CCCC2)ccc1F
InChIInChI=1S/C19H24FNO3/c1-12-10-14(6-8-16(12)20)17-9-7-15(19(23)24)11-21(17)18(22)13-4-2-3-5-13/h6,8,10,13,15,17H,2-5,7,9,11H2,1H3,(H,23,24)
InChIKeyUYHGDIJJRBCYTQ-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.69
Rot. Bonds3

About 1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid

1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid (PubChem CID 46067458) has the molecular formula C19H24FNO3 and a molecular weight of 333.40 g/mol. Its IUPAC name is 1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid
PubChem CID46067458
Molecular FormulaC19H24FNO3
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid
SMILESCc1cc(C2CCC(C(=O)O)CN2C(=O)C2CCCC2)ccc1F
InChIInChI=1S/C19H24FNO3/c1-12-10-14(6-8-16(12)20)17-9-7-15(19(23)24)11-21(17)18(22)13-4-2-3-5-13/h6,8,10,13,15,17H,2-5,7,9,11H2,1H3,(H,23,24)
InChIKeyUYHGDIJJRBCYTQ-UHFFFAOYSA-N
XLogP3.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid (CID 46067458) is 1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid is Cc1cc(C2CCC(C(=O)O)CN2C(=O)C2CCCC2)ccc1F.
What is the InChIKey of 1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid?
The InChIKey is UYHGDIJJRBCYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO3/c1-12-10-14(6-8-16(12)20)17-9-7-15(19(23)24)11-21(17)18(22)13-4-2-3-5-13/h6,8,10,13,15,17H,2-5,7,9,11H2,1H3,(H,23,24).
What are the key properties of 1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid?
1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid has a molecular weight of 333.40 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 46067458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).