(4-bromo-2-chlorophenyl) 1-(furan-3-carbonyl)piperidine-3-carboxylate

C17H15BrClNO4 — CID 43054836

IUPAC(4-bromo-2-chlorophenyl) 1-(furan-3-carbonyl)piperidine-3-carboxylate
SMILESO=C(Oc1ccc(Br)cc1Cl)C1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C17H15BrClNO4/c18-13-3-4-15(14(19)8-13)24-17(22)11-2-1-6-20(9-11)16(21)12-5-7-23-10-12/h3-5,7-8,10-11H,1-2,6,9H2
InChIKeyFSWUJUDSMONLLO-UHFFFAOYSA-N
MW412.67 g/mol
LogP4.15
Rot. Bonds3

About (4-bromo-2-chlorophenyl) 1-(furan-3-carbonyl)piperidine-3-carboxylate

(4-bromo-2-chlorophenyl) 1-(furan-3-carbonyl)piperidine-3-carboxylate (PubChem CID 43054836) has the molecular formula C17H15BrClNO4 and a molecular weight of 412.67 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl) 1-(furan-3-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl) 1-(furan-3-carbonyl)piperidine-3-carboxylate
PubChem CID43054836
Molecular FormulaC17H15BrClNO4
Molecular Weight412.67 g/mol
Exact Mass410.99
IUPAC Name(4-bromo-2-chlorophenyl) 1-(furan-3-carbonyl)piperidine-3-carboxylate
SMILESO=C(Oc1ccc(Br)cc1Cl)C1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C17H15BrClNO4/c18-13-3-4-15(14(19)8-13)24-17(22)11-2-1-6-20(9-11)16(21)12-5-7-23-10-12/h3-5,7-8,10-11H,1-2,6,9H2
InChIKeyFSWUJUDSMONLLO-UHFFFAOYSA-N
XLogP4.15
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.67
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-chloro-2-methylphenyl) (3R)-1-(furan-3-carbonyl)piperidine-3-carboxylate
CID 51870501
(4-bromo-2-chlorophenyl) 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 55558967
methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate
CID 78919632
N-(3,4-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568104
(4-bromo-2-chlorophenyl) 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 16564103
N'-[4-(2,4-dichlorophenoxy)butanoyl]-1-(furan-3-carbonyl)piperidine-3-carbohydrazide
CID 43056968
N-(3,5-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948171
1-(4-bromo-2-chlorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041998
1-(furan-3-carbonyl)-N,N-dimethylpiperidine-3-carboxamide
CID 42891354
N-(3-chloro-4-fluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948189
(3S)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 39991156
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46451461

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl) 1-(furan-3-carbonyl)piperidine-3-carboxylate?
The IUPAC name of (4-bromo-2-chlorophenyl) 1-(furan-3-carbonyl)piperidine-3-carboxylate (CID 43054836) is (4-bromo-2-chlorophenyl) 1-(furan-3-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for (4-bromo-2-chlorophenyl) 1-(furan-3-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for (4-bromo-2-chlorophenyl) 1-(furan-3-carbonyl)piperidine-3-carboxylate is O=C(Oc1ccc(Br)cc1Cl)C1CCCN(C(=O)c2ccoc2)C1.
What is the InChIKey of (4-bromo-2-chlorophenyl) 1-(furan-3-carbonyl)piperidine-3-carboxylate?
The InChIKey is FSWUJUDSMONLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClNO4/c18-13-3-4-15(14(19)8-13)24-17(22)11-2-1-6-20(9-11)16(21)12-5-7-23-10-12/h3-5,7-8,10-11H,1-2,6,9H2.
What are the key properties of (4-bromo-2-chlorophenyl) 1-(furan-3-carbonyl)piperidine-3-carboxylate?
(4-bromo-2-chlorophenyl) 1-(furan-3-carbonyl)piperidine-3-carboxylate has a molecular weight of 412.67 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chlorophenyl) 1-(furan-3-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 43054836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).