N-[2-anilino-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide

C24H28FN3O3 — CID 46014635

IUPACN-[2-anilino-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
SMILESCC(C)C(=O)N1CCC(C(NC(=O)c2ccc(F)cc2)C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C24H28FN3O3/c1-16(2)24(31)28-14-12-17(13-15-28)21(23(30)26-20-6-4-3-5-7-20)27-22(29)18-8-10-19(25)11-9-18/h3-11,16-17,21H,12-15H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyJDAAPLQMRXPIMU-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.46
Rot. Bonds6

About N-[2-anilino-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide

N-[2-anilino-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide (PubChem CID 46014635) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is N-[2-anilino-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-anilino-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
PubChem CID46014635
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC NameN-[2-anilino-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
SMILESCC(C)C(=O)N1CCC(C(NC(=O)c2ccc(F)cc2)C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C24H28FN3O3/c1-16(2)24(31)28-14-12-17(13-15-28)21(23(30)26-20-6-4-3-5-7-20)27-22(29)18-8-10-19(25)11-9-18/h3-11,16-17,21H,12-15H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyJDAAPLQMRXPIMU-UHFFFAOYSA-N
XLogP3.46
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-2-anilino-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-fluorobenzamide
CID 93178690
N-[2-anilino-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 46014640
4-fluoro-N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 42840244
N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 46020232
N-[(1S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 93199265
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-(cyclopropylamino)-2-oxoethyl]-4-fluorobenzamide
CID 93196691
4-fluoro-N-[(1R)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-(propylamino)ethyl]benzamide
CID 93178750
N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide
CID 93178716
N-[(1R)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 93199300
N-[(1S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 93199501
N-[(1S)-2-[[(2R)-butan-2-yl]amino]-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 93196655
4-fluoro-N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]benzamide
CID 46016071

Frequently Asked Questions

What is the IUPAC name of N-[2-anilino-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-anilino-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide (CID 46014635) is N-[2-anilino-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-anilino-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-anilino-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide is CC(C)C(=O)N1CCC(C(NC(=O)c2ccc(F)cc2)C(=O)Nc2ccccc2)CC1.
What is the InChIKey of N-[2-anilino-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is JDAAPLQMRXPIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3/c1-16(2)24(31)28-14-12-17(13-15-28)21(23(30)26-20-6-4-3-5-7-20)27-22(29)18-8-10-19(25)11-9-18/h3-11,16-17,21H,12-15H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of N-[2-anilino-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide?
N-[2-anilino-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 425.50 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-anilino-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 46014635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).