1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-methylpiperidine-4-carboxamide

C19H26FN3O3 — CID 55520284

IUPAC1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)C(NC(=O)c2ccc(F)cc2)C(C)C)CC1
InChIInChI=1S/C19H26FN3O3/c1-12(2)16(22-18(25)13-4-6-15(20)7-5-13)19(26)23-10-8-14(9-11-23)17(24)21-3/h4-7,12,14,16H,8-11H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyJTECFYRSBHMYKY-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.56
Rot. Bonds5

About 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-methylpiperidine-4-carboxamide

1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-methylpiperidine-4-carboxamide (PubChem CID 55520284) has the molecular formula C19H26FN3O3 and a molecular weight of 363.43 g/mol. Its IUPAC name is 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-methylpiperidine-4-carboxamide
PubChem CID55520284
Molecular FormulaC19H26FN3O3
Molecular Weight363.43 g/mol
Exact Mass363.20
IUPAC Name1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)C(NC(=O)c2ccc(F)cc2)C(C)C)CC1
InChIInChI=1S/C19H26FN3O3/c1-12(2)16(22-18(25)13-4-6-15(20)7-5-13)19(26)23-10-8-14(9-11-23)17(24)21-3/h4-7,12,14,16H,8-11H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyJTECFYRSBHMYKY-UHFFFAOYSA-N
XLogP1.56
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-methylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808213
ethyl 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]piperidine-4-carboxylate
CID 78780462
4-fluoro-N-[3-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxobutan-2-yl]benzamide
CID 119490050
4-fluoro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzamide
CID 9104538
4-fluoro-N-[3-methyl-1-(2-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzamide
CID 51145484
N-[1-(3-aminopiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide;hydrochloride
CID 119379031
N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 119662801
1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251061
N-[1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 46540265
N-[(2S)-1-[4-(4-acetylphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 7774591
6-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174706
4-fluoro-N-[(2R)-3-methyl-1-oxo-1-[(2S)-2-(pyrrolidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]butan-2-yl]benzamide
CID 97256092

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-methylpiperidine-4-carboxamide (CID 55520284) is 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)C(NC(=O)c2ccc(F)cc2)C(C)C)CC1.
What is the InChIKey of 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is JTECFYRSBHMYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3/c1-12(2)16(22-18(25)13-4-6-15(20)7-5-13)19(26)23-10-8-14(9-11-23)17(24)21-3/h4-7,12,14,16H,8-11H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-methylpiperidine-4-carboxamide?
1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 363.43 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 55520284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).