4-fluoro-N-[3-methyl-1-[(1-methyl-6-oxopiperidin-3-yl)amino]-1-oxobutan-2-yl]benzamide

C18H24FN3O3 — CID 56793894

IUPAC4-fluoro-N-[3-methyl-1-[(1-methyl-6-oxopiperidin-3-yl)amino]-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccc(F)cc1)C(=O)NC1CCC(=O)N(C)C1
InChIInChI=1S/C18H24FN3O3/c1-11(2)16(21-17(24)12-4-6-13(19)7-5-12)18(25)20-14-8-9-15(23)22(3)10-14/h4-7,11,14,16H,8-10H2,1-3H3,(H,20,25)(H,21,24)
InChIKeyOFOOPYZDPZSHJK-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.32
Rot. Bonds5

About 4-fluoro-N-[3-methyl-1-[(1-methyl-6-oxopiperidin-3-yl)amino]-1-oxobutan-2-yl]benzamide

4-fluoro-N-[3-methyl-1-[(1-methyl-6-oxopiperidin-3-yl)amino]-1-oxobutan-2-yl]benzamide (PubChem CID 56793894) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-fluoro-N-[3-methyl-1-[(1-methyl-6-oxopiperidin-3-yl)amino]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-methyl-1-[(1-methyl-6-oxopiperidin-3-yl)amino]-1-oxobutan-2-yl]benzamide
PubChem CID56793894
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC Name4-fluoro-N-[3-methyl-1-[(1-methyl-6-oxopiperidin-3-yl)amino]-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccc(F)cc1)C(=O)NC1CCC(=O)N(C)C1
InChIInChI=1S/C18H24FN3O3/c1-11(2)16(21-17(24)12-4-6-13(19)7-5-12)18(25)20-14-8-9-15(23)22(3)10-14/h4-7,11,14,16H,8-10H2,1-3H3,(H,20,25)(H,21,24)
InChIKeyOFOOPYZDPZSHJK-UHFFFAOYSA-N
XLogP1.32
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-[3-methyl-1-[(1-methyl-6-oxopiperidin-3-yl)amino]-1-oxobutan-2-yl]benzamide with MolForge

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Related Compounds

4-fluoro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide
CID 78810006
N-[1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 46540265
4-fluoro-N-[1-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55702964
4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655889
N-(1-methyl-6-oxopiperidin-3-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 64668240
4-fluoro-N-[(2R)-1-(4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 95264771
2,3-dimethyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid
CID 103498588
3-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid
CID 103253002
4-fluoro-N-[3-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxobutan-2-yl]benzamide
CID 119490050
2-cyano-3-methyl-N-(1-methyl-6-oxopiperidin-3-yl)butanamide
CID 64669823
4-tert-butyl-N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 9208945
N-(1-methyl-6-oxopiperidin-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104615091

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-methyl-1-[(1-methyl-6-oxopiperidin-3-yl)amino]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[3-methyl-1-[(1-methyl-6-oxopiperidin-3-yl)amino]-1-oxobutan-2-yl]benzamide (CID 56793894) is 4-fluoro-N-[3-methyl-1-[(1-methyl-6-oxopiperidin-3-yl)amino]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-methyl-1-[(1-methyl-6-oxopiperidin-3-yl)amino]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-methyl-1-[(1-methyl-6-oxopiperidin-3-yl)amino]-1-oxobutan-2-yl]benzamide is CC(C)C(NC(=O)c1ccc(F)cc1)C(=O)NC1CCC(=O)N(C)C1.
What is the InChIKey of 4-fluoro-N-[3-methyl-1-[(1-methyl-6-oxopiperidin-3-yl)amino]-1-oxobutan-2-yl]benzamide?
The InChIKey is OFOOPYZDPZSHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O3/c1-11(2)16(21-17(24)12-4-6-13(19)7-5-12)18(25)20-14-8-9-15(23)22(3)10-14/h4-7,11,14,16H,8-10H2,1-3H3,(H,20,25)(H,21,24).
What are the key properties of 4-fluoro-N-[3-methyl-1-[(1-methyl-6-oxopiperidin-3-yl)amino]-1-oxobutan-2-yl]benzamide?
4-fluoro-N-[3-methyl-1-[(1-methyl-6-oxopiperidin-3-yl)amino]-1-oxobutan-2-yl]benzamide has a molecular weight of 349.41 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-methyl-1-[(1-methyl-6-oxopiperidin-3-yl)amino]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 56793894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).