(2-bromofuran-3-yl)-(4-chloropiperidin-1-yl)methanone

C10H11BrClNO2 — CID 106856052

IUPAC(2-bromofuran-3-yl)-(4-chloropiperidin-1-yl)methanone
SMILESO=C(c1ccoc1Br)N1CCC(Cl)CC1
InChIInChI=1S/C10H11BrClNO2/c11-9-8(3-6-15-9)10(14)13-4-1-7(12)2-5-13/h3,6-7H,1-2,4-5H2
InChIKeyHYIVZXJIXHPUQL-UHFFFAOYSA-N
MW292.56 g/mol
LogP2.89
Rot. Bonds1

About (2-bromofuran-3-yl)-(4-chloropiperidin-1-yl)methanone

(2-bromofuran-3-yl)-(4-chloropiperidin-1-yl)methanone (PubChem CID 106856052) has the molecular formula C10H11BrClNO2 and a molecular weight of 292.56 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(4-chloropiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(4-chloropiperidin-1-yl)methanone
PubChem CID106856052
Molecular FormulaC10H11BrClNO2
Molecular Weight292.56 g/mol
Exact Mass290.97
IUPAC Name(2-bromofuran-3-yl)-(4-chloropiperidin-1-yl)methanone
SMILESO=C(c1ccoc1Br)N1CCC(Cl)CC1
InChIInChI=1S/C10H11BrClNO2/c11-9-8(3-6-15-9)10(14)13-4-1-7(12)2-5-13/h3,6-7H,1-2,4-5H2
InChIKeyHYIVZXJIXHPUQL-UHFFFAOYSA-N
XLogP2.89
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.56
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-bromofuran-3-yl)-(3-chloro-4-methylpiperidin-1-yl)methanone
CID 106856247
1-(2-bromofuran-3-carbonyl)piperidine-4-carbonitrile
CID 106852138
(2-bromofuran-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 106853680
1-(2-bromofuran-3-carbonyl)azetidine-3-carboxylic acid
CID 106851047
(2-bromofuran-3-yl)-(3-methoxypyrrolidin-1-yl)methanone
CID 106854462
(2-bromofuran-3-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 106852967
(2-bromofuran-3-yl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 106852804
(2-bromofuran-3-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 106853905
(2-bromofuran-3-yl)-(3-hydroxy-4-methylpyrrolidin-1-yl)methanone
CID 131196683
4-(2-bromofuran-3-carbonyl)-N-ethylpiperazine-1-carboxamide
CID 106853377
1-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 106853503
1-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-2-methoxyethanone
CID 106853497

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-(4-chloropiperidin-1-yl)methanone?
The IUPAC name of (2-bromofuran-3-yl)-(4-chloropiperidin-1-yl)methanone (CID 106856052) is (2-bromofuran-3-yl)-(4-chloropiperidin-1-yl)methanone.
What is the SMILES notation for (2-bromofuran-3-yl)-(4-chloropiperidin-1-yl)methanone?
The canonical SMILES for (2-bromofuran-3-yl)-(4-chloropiperidin-1-yl)methanone is O=C(c1ccoc1Br)N1CCC(Cl)CC1.
What is the InChIKey of (2-bromofuran-3-yl)-(4-chloropiperidin-1-yl)methanone?
The InChIKey is HYIVZXJIXHPUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO2/c11-9-8(3-6-15-9)10(14)13-4-1-7(12)2-5-13/h3,6-7H,1-2,4-5H2.
What are the key properties of (2-bromofuran-3-yl)-(4-chloropiperidin-1-yl)methanone?
(2-bromofuran-3-yl)-(4-chloropiperidin-1-yl)methanone has a molecular weight of 292.56 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-(4-chloropiperidin-1-yl)methanone is sourced from PubChem (CID 106856052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).