N-[4-(diethylamino)phenyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide

C23H27F2N3O2 — CID 55375368

IUPACN-[4-(diethylamino)phenyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C23H27F2N3O2/c1-3-27(4-2)19-8-6-18(7-9-19)26-22(29)16-11-13-28(14-12-16)23(30)20-10-5-17(24)15-21(20)25/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,26,29)
InChIKeyKSCXGSCVPMVIEM-UHFFFAOYSA-N
MW415.48 g/mol
LogP4.30
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide

N-[4-(diethylamino)phenyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide (PubChem CID 55375368) has the molecular formula C23H27F2N3O2 and a molecular weight of 415.48 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
PubChem CID55375368
Molecular FormulaC23H27F2N3O2
Molecular Weight415.48 g/mol
Exact Mass415.21
IUPAC NameN-[4-(diethylamino)phenyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C23H27F2N3O2/c1-3-27(4-2)19-8-6-18(7-9-19)26-22(29)16-11-13-28(14-12-16)23(30)20-10-5-17(24)15-21(20)25/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,26,29)
InChIKeyKSCXGSCVPMVIEM-UHFFFAOYSA-N
XLogP4.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(diethylamino)phenyl]-1-(2,4-difluorobenzoyl)piperidine-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

N-[4-(diethylamino)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 113008104
1-(2,4-difluorobenzoyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 78803404
N-(4-carbamoyl-3-methylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 56517553
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
N-[4-(diethylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46581827
1-(2,4-difluorobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide
CID 55655878
1-(2,4-difluorobenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 46487334
1-(2,4-difluorobenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 51192084
N-[4-(diethylamino)phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39126265
1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119506667
1-(2,4-difluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 78803399
3-[[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177053

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide (CID 55375368) is N-[4-(diethylamino)phenyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide is CCN(CC)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is KSCXGSCVPMVIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N3O2/c1-3-27(4-2)19-8-6-18(7-9-19)26-22(29)16-11-13-28(14-12-16)23(30)20-10-5-17(24)15-21(20)25/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,26,29).
What are the key properties of N-[4-(diethylamino)phenyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
N-[4-(diethylamino)phenyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 415.48 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 55375368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).