1-[2-(2-fluoroanilino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid

C15H19FN2O3 — CID 63136985

IUPAC1-[2-(2-fluoroanilino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(CC(=O)Nc2ccccc2F)C1
InChIInChI=1S/C15H19FN2O3/c1-15(14(20)21)7-4-8-18(10-15)9-13(19)17-12-6-3-2-5-11(12)16/h2-3,5-6H,4,7-10H2,1H3,(H,17,19)(H,20,21)
InChIKeyDEOXNTYFXSASIQ-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.95
Rot. Bonds4

About 1-[2-(2-fluoroanilino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid

1-[2-(2-fluoroanilino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 63136985) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-[2-(2-fluoroanilino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-fluoroanilino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID63136985
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name1-[2-(2-fluoroanilino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(CC(=O)Nc2ccccc2F)C1
InChIInChI=1S/C15H19FN2O3/c1-15(14(20)21)7-4-8-18(10-15)9-13(19)17-12-6-3-2-5-11(12)16/h2-3,5-6H,4,7-10H2,1H3,(H,17,19)(H,20,21)
InChIKeyDEOXNTYFXSASIQ-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chloroanilino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
CID 63136943
1-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137295
N-(2-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919928
1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63147604
3-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 63137210
1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
CID 63137212
(3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305796
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 63848548
2-(3-hydroxy-3-methylpiperidin-1-yl)-N-phenylacetamide
CID 115873944
N-(2-fluorophenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 54923773
N-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid
CID 171154607
N-(2-fluorophenyl)-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
CID 103728822

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoroanilino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2-fluoroanilino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid (CID 63136985) is 1-[2-(2-fluoroanilino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2-fluoroanilino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2-fluoroanilino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(CC(=O)Nc2ccccc2F)C1.
What is the InChIKey of 1-[2-(2-fluoroanilino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is DEOXNTYFXSASIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-15(14(20)21)7-4-8-18(10-15)9-13(19)17-12-6-3-2-5-11(12)16/h2-3,5-6H,4,7-10H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 1-[2-(2-fluoroanilino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid?
1-[2-(2-fluoroanilino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoroanilino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63136985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).