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

C23H27FN4O3 — CID 55808213

IUPAC1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESCC(C)C(NC(=O)c1ccc(F)cc1)C(=O)N1CCC(C(=O)Nc2ccccn2)CC1
InChIInChI=1S/C23H27FN4O3/c1-15(2)20(27-22(30)16-6-8-18(24)9-7-16)23(31)28-13-10-17(11-14-28)21(29)26-19-5-3-4-12-25-19/h3-9,12,15,17,20H,10-11,13-14H2,1-2H3,(H,27,30)(H,25,26,29)
InChIKeyLJQFDIQGUBOBLJ-UHFFFAOYSA-N
MW426.49 g/mol
LogP2.85
Rot. Bonds6

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

1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-pyridin-2-ylpiperidine-4-carboxamide (PubChem CID 55808213) has the molecular formula C23H27FN4O3 and a molecular weight of 426.49 g/mol. Its IUPAC name is 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-pyridin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-pyridin-2-ylpiperidine-4-carboxamide
PubChem CID55808213
Molecular FormulaC23H27FN4O3
Molecular Weight426.49 g/mol
Exact Mass426.21
IUPAC Name1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESCC(C)C(NC(=O)c1ccc(F)cc1)C(=O)N1CCC(C(=O)Nc2ccccn2)CC1
InChIInChI=1S/C23H27FN4O3/c1-15(2)20(27-22(30)16-6-8-18(24)9-7-16)23(31)28-13-10-17(11-14-28)21(29)26-19-5-3-4-12-25-19/h3-9,12,15,17,20H,10-11,13-14H2,1-2H3,(H,27,30)(H,25,26,29)
InChIKeyLJQFDIQGUBOBLJ-UHFFFAOYSA-N
XLogP2.85
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-methylpiperidine-4-carboxamide
CID 55520284
ethyl 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]piperidine-4-carboxylate
CID 78780462
1-[2-(4-fluorophenyl)-2-methylpropanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 110246623
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
N-[(2S)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 31187589
N-[(2R)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]benzamide
CID 970702
N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]benzamide
CID 970701
1-[3-(4-fluorophenyl)propanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 110246626
N-[(2S)-1-(4-benzoylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 25496758
N-[1-(4-benzoylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-bromobenzamide
CID 42934338
4-fluoro-N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide
CID 51289845

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-pyridin-2-ylpiperidine-4-carboxamide (CID 55808213) is 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-pyridin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-pyridin-2-ylpiperidine-4-carboxamide is CC(C)C(NC(=O)c1ccc(F)cc1)C(=O)N1CCC(C(=O)Nc2ccccn2)CC1.
What is the InChIKey of 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The InChIKey is LJQFDIQGUBOBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3/c1-15(2)20(27-22(30)16-6-8-18(24)9-7-16)23(31)28-13-10-17(11-14-28)21(29)26-19-5-3-4-12-25-19/h3-9,12,15,17,20H,10-11,13-14H2,1-2H3,(H,27,30)(H,25,26,29).
What are the key properties of 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-pyridin-2-ylpiperidine-4-carboxamide has a molecular weight of 426.49 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-pyridin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 55808213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).