1-N-phenyl-4-N-(2,3,4-trifluorophenyl)piperidine-1,4-dicarboxamide

C19H18F3N3O2 — CID 113008926

IUPAC1-N-phenyl-4-N-(2,3,4-trifluorophenyl)piperidine-1,4-dicarboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C19H18F3N3O2/c20-14-6-7-15(17(22)16(14)21)24-18(26)12-8-10-25(11-9-12)19(27)23-13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,23,27)(H,24,26)
InChIKeyTWYUILXRESUHQP-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.99
Rot. Bonds3

About 1-N-phenyl-4-N-(2,3,4-trifluorophenyl)piperidine-1,4-dicarboxamide

1-N-phenyl-4-N-(2,3,4-trifluorophenyl)piperidine-1,4-dicarboxamide (PubChem CID 113008926) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 1-N-phenyl-4-N-(2,3,4-trifluorophenyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-phenyl-4-N-(2,3,4-trifluorophenyl)piperidine-1,4-dicarboxamide
PubChem CID113008926
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name1-N-phenyl-4-N-(2,3,4-trifluorophenyl)piperidine-1,4-dicarboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C19H18F3N3O2/c20-14-6-7-15(17(22)16(14)21)24-18(26)12-8-10-25(11-9-12)19(27)23-13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,23,27)(H,24,26)
InChIKeyTWYUILXRESUHQP-UHFFFAOYSA-N
XLogP3.99
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754252
1-(thiophene-2-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 18195855
4-N-(4-fluoro-3-nitrophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 7478520
4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 51180162
N-(2,3,4-trifluorophenyl)azepane-1-carboxamide
CID 47193814
1-(2,4-difluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 78803399
1-(2-nitrophenyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 26358381
ethyl 2-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008681
1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 2113074
4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 17474266
4-N-(3,4-dichlorophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26577149
1-(2,5-difluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 46808218

Frequently Asked Questions

What is the IUPAC name of 1-N-phenyl-4-N-(2,3,4-trifluorophenyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-phenyl-4-N-(2,3,4-trifluorophenyl)piperidine-1,4-dicarboxamide (CID 113008926) is 1-N-phenyl-4-N-(2,3,4-trifluorophenyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-phenyl-4-N-(2,3,4-trifluorophenyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-phenyl-4-N-(2,3,4-trifluorophenyl)piperidine-1,4-dicarboxamide is O=C(Nc1ccc(F)c(F)c1F)C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-N-phenyl-4-N-(2,3,4-trifluorophenyl)piperidine-1,4-dicarboxamide?
The InChIKey is TWYUILXRESUHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c20-14-6-7-15(17(22)16(14)21)24-18(26)12-8-10-25(11-9-12)19(27)23-13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,23,27)(H,24,26).
What are the key properties of 1-N-phenyl-4-N-(2,3,4-trifluorophenyl)piperidine-1,4-dicarboxamide?
1-N-phenyl-4-N-(2,3,4-trifluorophenyl)piperidine-1,4-dicarboxamide has a molecular weight of 377.37 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-phenyl-4-N-(2,3,4-trifluorophenyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 113008926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).