4-[3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanoylamino]benzamide

C22H23F2N3O3 — CID 55841465

IUPAC4-[3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCN2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1
InChIInChI=1S/C22H23F2N3O3/c23-16-3-6-19(24)18(13-16)21(29)14-7-10-27(11-8-14)12-9-20(28)26-17-4-1-15(2-5-17)22(25)30/h1-6,13-14H,7-12H2,(H2,25,30)(H,26,28)
InChIKeyVVNFXVSFCPYWKY-UHFFFAOYSA-N
MW415.44 g/mol
LogP2.99
Rot. Bonds7

About 4-[3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanoylamino]benzamide

4-[3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanoylamino]benzamide (PubChem CID 55841465) has the molecular formula C22H23F2N3O3 and a molecular weight of 415.44 g/mol. Its IUPAC name is 4-[3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanoylamino]benzamide.

Molecular Properties

Compound Name4-[3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanoylamino]benzamide
PubChem CID55841465
Molecular FormulaC22H23F2N3O3
Molecular Weight415.44 g/mol
Exact Mass415.17
IUPAC Name4-[3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCN2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1
InChIInChI=1S/C22H23F2N3O3/c23-16-3-6-19(24)18(13-16)21(29)14-7-10-27(11-8-14)12-9-20(28)26-17-4-1-15(2-5-17)22(25)30/h1-6,13-14H,7-12H2,(H2,25,30)(H,26,28)
InChIKeyVVNFXVSFCPYWKY-UHFFFAOYSA-N
XLogP2.99
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide
CID 51087123
4-(3-pyrrolidin-1-ylpropanoylamino)benzamide
CID 110688218
N-(3-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide
CID 55864910
N-(3-chloro-4-methylphenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide
CID 55841590
N-butyl-1-[3-(4-carbamoylanilino)-3-oxopropyl]piperidine-4-carboxamide
CID 37210805
1-[3-(4-carbamoylanilino)-3-oxopropyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 56525101
N-(3,4-difluorophenyl)-3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]propanamide
CID 33215602
N-(3-amino-4-fluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16778601
N-(4-acetylphenyl)-3-(4-benzoylpiperidin-1-yl)propanamide
CID 33215029
N-(3,4-difluorophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 30101240
ethyl 1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxylate
CID 739948
4-[3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoylamino]benzamide
CID 95775396

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanoylamino]benzamide?
The IUPAC name of 4-[3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanoylamino]benzamide (CID 55841465) is 4-[3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanoylamino]benzamide.
What is the SMILES notation for 4-[3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanoylamino]benzamide?
The canonical SMILES for 4-[3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanoylamino]benzamide is NC(=O)c1ccc(NC(=O)CCN2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1.
What is the InChIKey of 4-[3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanoylamino]benzamide?
The InChIKey is VVNFXVSFCPYWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O3/c23-16-3-6-19(24)18(13-16)21(29)14-7-10-27(11-8-14)12-9-20(28)26-17-4-1-15(2-5-17)22(25)30/h1-6,13-14H,7-12H2,(H2,25,30)(H,26,28).
What are the key properties of 4-[3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanoylamino]benzamide?
4-[3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanoylamino]benzamide has a molecular weight of 415.44 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanoylamino]benzamide is sourced from PubChem (CID 55841465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).