1-(furan-2-carbonyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide

C17H15Cl3N2O3 — CID 17081680

IUPAC1-(furan-2-carbonyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H15Cl3N2O3/c18-11-8-13(20)14(9-12(11)19)21-16(23)10-3-5-22(6-4-10)17(24)15-2-1-7-25-15/h1-2,7-10H,3-6H2,(H,21,23)
InChIKeyIJXGFOLHOPGJRP-UHFFFAOYSA-N
MW401.68 g/mol
LogP4.73
Rot. Bonds3

About 1-(furan-2-carbonyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide

1-(furan-2-carbonyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide (PubChem CID 17081680) has the molecular formula C17H15Cl3N2O3 and a molecular weight of 401.68 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
PubChem CID17081680
Molecular FormulaC17H15Cl3N2O3
Molecular Weight401.68 g/mol
Exact Mass400.01
IUPAC Name1-(furan-2-carbonyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H15Cl3N2O3/c18-11-8-13(20)14(9-12(11)19)21-16(23)10-3-5-22(6-4-10)17(24)15-2-1-7-25-15/h1-2,7-10H,3-6H2,(H,21,23)
InChIKeyIJXGFOLHOPGJRP-UHFFFAOYSA-N
XLogP4.73
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.68
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-carbonyl)-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 134008364
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 5205501
1-(4-phenylbenzoyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 126069700
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 16564174
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 34066852
1-(furan-2-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 17081700
N-(2-butan-2-ylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 6497480
N-[2-[(2R)-butan-2-yl]phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 7449934
1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659
1-(2,2-dimethylpropanoyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 17224280
1-(furan-2-carbonyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 17432225
N-(2,3-dichlorophenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42938602

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide (CID 17081680) is 1-(furan-2-carbonyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide is O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide?
The InChIKey is IJXGFOLHOPGJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl3N2O3/c18-11-8-13(20)14(9-12(11)19)21-16(23)10-3-5-22(6-4-10)17(24)15-2-1-7-25-15/h1-2,7-10H,3-6H2,(H,21,23).
What are the key properties of 1-(furan-2-carbonyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide?
1-(furan-2-carbonyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide has a molecular weight of 401.68 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 17081680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).