1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid

C15H19FN2O3 — CID 43441356

IUPAC1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
SMILESCc1ccc(F)cc1NC(=O)CN1CCCCC1C(=O)O
InChIInChI=1S/C15H19FN2O3/c1-10-5-6-11(16)8-12(10)17-14(19)9-18-7-3-2-4-13(18)15(20)21/h5-6,8,13H,2-4,7,9H2,1H3,(H,17,19)(H,20,21)
InChIKeyMZDAASQGTCBDEQ-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.01
Rot. Bonds4

About 1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid

1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid (PubChem CID 43441356) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
PubChem CID43441356
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
SMILESCc1ccc(F)cc1NC(=O)CN1CCCCC1C(=O)O
InChIInChI=1S/C15H19FN2O3/c1-10-5-6-11(16)8-12(10)17-14(19)9-18-7-3-2-4-13(18)15(20)21/h5-6,8,13H,2-4,7,9H2,1H3,(H,17,19)(H,20,21)
InChIKeyMZDAASQGTCBDEQ-UHFFFAOYSA-N
XLogP2.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61192061
1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441373
1-[2-(2-fluoroanilino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64563162
N-(2,5-difluorophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 16554820
1-[2-(2,3-dimethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441823
(2S)-1-[2-(2-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910659
1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid
CID 43441072
N-(5-fluoro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 51454328
N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62917861
1-[2-(2-iodoanilino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64564340
methyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62027861
1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909298

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid (CID 43441356) is 1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid is Cc1ccc(F)cc1NC(=O)CN1CCCCC1C(=O)O.
What is the InChIKey of 1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid?
The InChIKey is MZDAASQGTCBDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-10-5-6-11(16)8-12(10)17-14(19)9-18-7-3-2-4-13(18)15(20)21/h5-6,8,13H,2-4,7,9H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid?
1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 43441356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).