(3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide

C14H18FN3O2 — CID 9305796

IUPAC(3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(CC(=O)Nc2ccccc2F)C1
InChIInChI=1S/C14H18FN3O2/c15-11-5-1-2-6-12(11)17-13(19)9-18-7-3-4-10(8-18)14(16)20/h1-2,5-6,10H,3-4,7-9H2,(H2,16,20)(H,17,19)/t10-/m0/s1
InChIKeyVFXIOLJPYRSFLO-JTQLQIEISA-N
MW279.31 g/mol
LogP0.96
Rot. Bonds4

About (3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide

(3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 9305796) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is (3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
PubChem CID9305796
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name(3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(CC(=O)Nc2ccccc2F)C1
InChIInChI=1S/C14H18FN3O2/c15-11-5-1-2-6-12(11)17-13(19)9-18-7-3-4-10(8-18)14(16)20/h1-2,5-6,10H,3-4,7-9H2,(H2,16,20)(H,17,19)/t10-/m0/s1
InChIKeyVFXIOLJPYRSFLO-JTQLQIEISA-N
XLogP0.96
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305453
N-tert-butyl-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 166601926
(3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-3-carboxamide
CID 9305645
(3S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305506
N-(2-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919928
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 63848548
(3R)-1-[2-oxo-2-(4-phenylanilino)ethyl]piperidine-3-carboxamide
CID 9306022
2-(3-aminopyrrolidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119917633
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119905386
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-fluorophenyl)acetamide
CID 22194026
(3R)-1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9306042
1-[3-(2-aminoanilino)-3-oxopropyl]piperidine-3-carboxamide
CID 16788588

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide (CID 9305796) is (3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(CC(=O)Nc2ccccc2F)C1.
What is the InChIKey of (3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is VFXIOLJPYRSFLO-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18FN3O2/c15-11-5-1-2-6-12(11)17-13(19)9-18-7-3-4-10(8-18)14(16)20/h1-2,5-6,10H,3-4,7-9H2,(H2,16,20)(H,17,19)/t10-/m0/s1.
What are the key properties of (3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide?
(3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 279.31 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 9305796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).