(3R)-1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide

C15H20FN3O2 — CID 9306042

IUPAC(3R)-1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)CN2CCC[C@@H](C(N)=O)C2)cc1F
InChIInChI=1S/C15H20FN3O2/c1-10-4-5-12(7-13(10)16)18-14(20)9-19-6-2-3-11(8-19)15(17)21/h4-5,7,11H,2-3,6,8-9H2,1H3,(H2,17,21)(H,18,20)/t11-/m1/s1
InChIKeyFAMGTQCLAFTXEZ-LLVKDONJSA-N
MW293.34 g/mol
LogP1.27
Rot. Bonds4

About (3R)-1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide

(3R)-1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 9306042) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is (3R)-1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
PubChem CID9306042
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name(3R)-1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)CN2CCC[C@@H](C(N)=O)C2)cc1F
InChIInChI=1S/C15H20FN3O2/c1-10-4-5-12(7-13(10)16)18-14(20)9-19-6-2-3-11(8-19)15(17)21/h4-5,7,11H,2-3,6,8-9H2,1H3,(H2,17,21)(H,18,20)/t11-/m1/s1
InChIKeyFAMGTQCLAFTXEZ-LLVKDONJSA-N
XLogP1.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[2-(3-bromo-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305089
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride
CID 119933635
(3S)-1-[2-(4-iodoanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305538
(3R)-1-[2-oxo-2-(4-phenylanilino)ethyl]piperidine-3-carboxamide
CID 9306022
(3S)-1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305453
(3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305796
(3R)-1-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 9304613
methyl 1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742544
N-(3-fluoro-4-methylphenyl)-1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909742
(3R)-1-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxamide
CID 9304559
1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43375565
2-(3-aminopiperidin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 61298131

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide (CID 9306042) is (3R)-1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide is Cc1ccc(NC(=O)CN2CCC[C@@H](C(N)=O)C2)cc1F.
What is the InChIKey of (3R)-1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is FAMGTQCLAFTXEZ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-10-4-5-12(7-13(10)16)18-14(20)9-19-6-2-3-11(8-19)15(17)21/h4-5,7,11H,2-3,6,8-9H2,1H3,(H2,17,21)(H,18,20)/t11-/m1/s1.
What are the key properties of (3R)-1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide?
(3R)-1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 293.34 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 9306042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).