1-(2,4-difluorobenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide

C23H25F2N3O3 — CID 46487334

IUPAC1-(2,4-difluorobenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)c1
InChIInChI=1S/C23H25F2N3O3/c1-3-21(29)26-17-6-4-14(2)20(13-17)27-22(30)15-8-10-28(11-9-15)23(31)18-7-5-16(24)12-19(18)25/h4-7,12-13,15H,3,8-11H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyHFDFUMULBPGFGR-UHFFFAOYSA-N
MW429.47 g/mol
LogP4.11
Rot. Bonds5

About 1-(2,4-difluorobenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide

1-(2,4-difluorobenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide (PubChem CID 46487334) has the molecular formula C23H25F2N3O3 and a molecular weight of 429.47 g/mol. Its IUPAC name is 1-(2,4-difluorobenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorobenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide
PubChem CID46487334
Molecular FormulaC23H25F2N3O3
Molecular Weight429.47 g/mol
Exact Mass429.19
IUPAC Name1-(2,4-difluorobenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)c1
InChIInChI=1S/C23H25F2N3O3/c1-3-21(29)26-17-6-4-14(2)20(13-17)27-22(30)15-8-10-28(11-9-15)23(31)18-7-5-16(24)12-19(18)25/h4-7,12-13,15H,3,8-11H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyHFDFUMULBPGFGR-UHFFFAOYSA-N
XLogP4.11
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylbenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 131917959
1-(2,4-difluorobenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 51192084
1-(2,4-difluorobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide
CID 55655878
N-(4-carbamoyl-3-methylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 56517553
1-(2,4-difluorobenzoyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 78803404
N-[4-(diethylamino)phenyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 55375368
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
1-(2,4-difluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 78803399
N-[4-[5-(cyclopropanecarbonylamino)-2-methylanilino]-4-oxobutyl]-2,4-difluorobenzamide
CID 46467552
N-(2-anilinophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 112772245
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]propanamide
CID 108562134
1-(2,4-difluorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 30430699

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorobenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-difluorobenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide (CID 46487334) is 1-(2,4-difluorobenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-difluorobenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-difluorobenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide is CCC(=O)Nc1ccc(C)c(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)c1.
What is the InChIKey of 1-(2,4-difluorobenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide?
The InChIKey is HFDFUMULBPGFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O3/c1-3-21(29)26-17-6-4-14(2)20(13-17)27-22(30)15-8-10-28(11-9-15)23(31)18-7-5-16(24)12-19(18)25/h4-7,12-13,15H,3,8-11H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 1-(2,4-difluorobenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide?
1-(2,4-difluorobenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide has a molecular weight of 429.47 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorobenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 46487334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).