(3S)-1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-3-carboxamide

C14H17F2N3O2 — CID 9305453

IUPAC(3S)-1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(CC(=O)Nc2ccc(F)cc2F)C1
InChIInChI=1S/C14H17F2N3O2/c15-10-3-4-12(11(16)6-10)18-13(20)8-19-5-1-2-9(7-19)14(17)21/h3-4,6,9H,1-2,5,7-8H2,(H2,17,21)(H,18,20)/t9-/m0/s1
InChIKeyOLOQFFKJZUUYFU-VIFPVBQESA-N
MW297.30 g/mol
LogP1.10
Rot. Bonds4

About (3S)-1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-3-carboxamide

(3S)-1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 9305453) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.30 g/mol. Its IUPAC name is (3S)-1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
PubChem CID9305453
Molecular FormulaC14H17F2N3O2
Molecular Weight297.30 g/mol
Exact Mass297.13
IUPAC Name(3S)-1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(CC(=O)Nc2ccc(F)cc2F)C1
InChIInChI=1S/C14H17F2N3O2/c15-10-3-4-12(11(16)6-10)18-13(20)8-19-5-1-2-9(7-19)14(17)21/h3-4,6,9H,1-2,5,7-8H2,(H2,17,21)(H,18,20)/t9-/m0/s1
InChIKeyOLOQFFKJZUUYFU-VIFPVBQESA-N
XLogP1.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305796
N-(2,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 4824448
1-[2-(4-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43082326
methyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112731416
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2,4-difluorophenyl)acetamide
CID 11940559
(3R)-1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9306042
1-[2-(2-amino-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16792068
1-[2-(5-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43375570
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 17490744
N-(2,4-difluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43923132
(3S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305506
1-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8531194

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-3-carboxamide (CID 9305453) is (3S)-1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(CC(=O)Nc2ccc(F)cc2F)C1.
What is the InChIKey of (3S)-1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is OLOQFFKJZUUYFU-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17F2N3O2/c15-10-3-4-12(11(16)6-10)18-13(20)8-19-5-1-2-9(7-19)14(17)21/h3-4,6,9H,1-2,5,7-8H2,(H2,17,21)(H,18,20)/t9-/m0/s1.
What are the key properties of (3S)-1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-3-carboxamide?
(3S)-1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 297.30 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 9305453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).