4-ethyl-1-(4-fluoro-3-methylbenzoyl)piperidine-2-carboxylic acid

C16H20FNO3 — CID 114427211

IUPAC4-ethyl-1-(4-fluoro-3-methylbenzoyl)piperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)c2ccc(F)c(C)c2)C(C(=O)O)C1
InChIInChI=1S/C16H20FNO3/c1-3-11-6-7-18(14(9-11)16(20)21)15(19)12-4-5-13(17)10(2)8-12/h4-5,8,11,14H,3,6-7,9H2,1-2H3,(H,20,21)
InChIKeyZPNNONVVXYHFLT-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.85
Rot. Bonds3

About 4-ethyl-1-(4-fluoro-3-methylbenzoyl)piperidine-2-carboxylic acid

4-ethyl-1-(4-fluoro-3-methylbenzoyl)piperidine-2-carboxylic acid (PubChem CID 114427211) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 4-ethyl-1-(4-fluoro-3-methylbenzoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(4-fluoro-3-methylbenzoyl)piperidine-2-carboxylic acid
PubChem CID114427211
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name4-ethyl-1-(4-fluoro-3-methylbenzoyl)piperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)c2ccc(F)c(C)c2)C(C(=O)O)C1
InChIInChI=1S/C16H20FNO3/c1-3-11-6-7-18(14(9-11)16(20)21)15(19)12-4-5-13(17)10(2)8-12/h4-5,8,11,14H,3,6-7,9H2,1-2H3,(H,20,21)
InChIKeyZPNNONVVXYHFLT-UHFFFAOYSA-N
XLogP2.85
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-fluorobenzoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427265
1-(4-amino-3-fluorobenzoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114429755
1-(3-amino-4-methylbenzoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114429700
1-(3-bromo-5-fluorobenzoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114426990
(3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid
CID 124513507
4-(4-fluoro-3-methylbenzoyl)thiomorpholine-3-carboxylic acid
CID 82901000
dimethyl (2S,4S)-1-(4-fluoro-3-methylbenzoyl)piperidine-2,4-dicarboxylate
CID 129471513
(2R,4S)-4-(dimethylamino)-1-(3-fluoro-4-methylbenzoyl)piperidine-2-carboxylic acid
CID 97391072
2-ethyl-3-(4-fluoro-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792343
1-(3-fluoro-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 16775996
(4-fluoro-3-methylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55163647
1-(3,4-difluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 13016794

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(4-fluoro-3-methylbenzoyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-(4-fluoro-3-methylbenzoyl)piperidine-2-carboxylic acid (CID 114427211) is 4-ethyl-1-(4-fluoro-3-methylbenzoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(4-fluoro-3-methylbenzoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(4-fluoro-3-methylbenzoyl)piperidine-2-carboxylic acid is CCC1CCN(C(=O)c2ccc(F)c(C)c2)C(C(=O)O)C1.
What is the InChIKey of 4-ethyl-1-(4-fluoro-3-methylbenzoyl)piperidine-2-carboxylic acid?
The InChIKey is ZPNNONVVXYHFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-3-11-6-7-18(14(9-11)16(20)21)15(19)12-4-5-13(17)10(2)8-12/h4-5,8,11,14H,3,6-7,9H2,1-2H3,(H,20,21).
What are the key properties of 4-ethyl-1-(4-fluoro-3-methylbenzoyl)piperidine-2-carboxylic acid?
4-ethyl-1-(4-fluoro-3-methylbenzoyl)piperidine-2-carboxylic acid has a molecular weight of 293.34 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(4-fluoro-3-methylbenzoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114427211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).