[2-(2-bromopropyl)piperidin-1-yl]-(2-ethylfuran-3-yl)methanone

C15H22BrNO2 — CID 112748524

IUPAC[2-(2-bromopropyl)piperidin-1-yl]-(2-ethylfuran-3-yl)methanone
SMILESCCc1occc1C(=O)N1CCCCC1CC(C)Br
InChIInChI=1S/C15H22BrNO2/c1-3-14-13(7-9-19-14)15(18)17-8-5-4-6-12(17)10-11(2)16/h7,9,11-12H,3-6,8,10H2,1-2H3
InChIKeyBCYWORCIADFTTD-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.01
Rot. Bonds4

About [2-(2-bromopropyl)piperidin-1-yl]-(2-ethylfuran-3-yl)methanone

[2-(2-bromopropyl)piperidin-1-yl]-(2-ethylfuran-3-yl)methanone (PubChem CID 112748524) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is [2-(2-bromopropyl)piperidin-1-yl]-(2-ethylfuran-3-yl)methanone.

Molecular Properties

Compound Name[2-(2-bromopropyl)piperidin-1-yl]-(2-ethylfuran-3-yl)methanone
PubChem CID112748524
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name[2-(2-bromopropyl)piperidin-1-yl]-(2-ethylfuran-3-yl)methanone
SMILESCCc1occc1C(=O)N1CCCCC1CC(C)Br
InChIInChI=1S/C15H22BrNO2/c1-3-14-13(7-9-19-14)15(18)17-8-5-4-6-12(17)10-11(2)16/h7,9,11-12H,3-6,8,10H2,1-2H3
InChIKeyBCYWORCIADFTTD-UHFFFAOYSA-N
XLogP4.01
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 54.01
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-chlorofuran-3-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 112748131
[2-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 43421327
2-ethyl-5-[2-(2-methylpropyl)piperidine-1-carbonyl]furan-3-carboxylic acid
CID 120822409
(2-chlorofuran-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 106685775
[2-(2-bromoethyl)piperidin-1-yl]-(2-chlorofuran-3-yl)methanone
CID 106689928
[2-(chloromethyl)azepan-1-yl]-(2-methylfuran-3-yl)methanone
CID 116639120
2-[3-(2-methylazepane-1-carbonyl)furan-2-yl]acetic acid
CID 114217823
(2-methylfuran-3-yl)-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95345998
[2-(2-bromopropyl)pyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 112748457
(3-ethyl-6-methylpyridazin-4-yl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone
CID 104671210
(5-ethylfuran-2-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 79560435
(2,4-difluorophenyl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone
CID 79549414

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromopropyl)piperidin-1-yl]-(2-ethylfuran-3-yl)methanone?
The IUPAC name of [2-(2-bromopropyl)piperidin-1-yl]-(2-ethylfuran-3-yl)methanone (CID 112748524) is [2-(2-bromopropyl)piperidin-1-yl]-(2-ethylfuran-3-yl)methanone.
What is the SMILES notation for [2-(2-bromopropyl)piperidin-1-yl]-(2-ethylfuran-3-yl)methanone?
The canonical SMILES for [2-(2-bromopropyl)piperidin-1-yl]-(2-ethylfuran-3-yl)methanone is CCc1occc1C(=O)N1CCCCC1CC(C)Br.
What is the InChIKey of [2-(2-bromopropyl)piperidin-1-yl]-(2-ethylfuran-3-yl)methanone?
The InChIKey is BCYWORCIADFTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-3-14-13(7-9-19-14)15(18)17-8-5-4-6-12(17)10-11(2)16/h7,9,11-12H,3-6,8,10H2,1-2H3.
What are the key properties of [2-(2-bromopropyl)piperidin-1-yl]-(2-ethylfuran-3-yl)methanone?
[2-(2-bromopropyl)piperidin-1-yl]-(2-ethylfuran-3-yl)methanone has a molecular weight of 328.25 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromopropyl)piperidin-1-yl]-(2-ethylfuran-3-yl)methanone is sourced from PubChem (CID 112748524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).