(3-bromo-4-methylpiperidin-1-yl)-(furan-3-yl)methanone

C11H14BrNO2 — CID 102962435

IUPAC(3-bromo-4-methylpiperidin-1-yl)-(furan-3-yl)methanone
SMILESCC1CCN(C(=O)c2ccoc2)CC1Br
InChIInChI=1S/C11H14BrNO2/c1-8-2-4-13(6-10(8)12)11(14)9-3-5-15-7-9/h3,5,7-8,10H,2,4,6H2,1H3
InChIKeyQDNRUNFWBCKYSK-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.53
Rot. Bonds1

About (3-bromo-4-methylpiperidin-1-yl)-(furan-3-yl)methanone

(3-bromo-4-methylpiperidin-1-yl)-(furan-3-yl)methanone (PubChem CID 102962435) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is (3-bromo-4-methylpiperidin-1-yl)-(furan-3-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-methylpiperidin-1-yl)-(furan-3-yl)methanone
PubChem CID102962435
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name(3-bromo-4-methylpiperidin-1-yl)-(furan-3-yl)methanone
SMILESCC1CCN(C(=O)c2ccoc2)CC1Br
InChIInChI=1S/C11H14BrNO2/c1-8-2-4-13(6-10(8)12)11(14)9-3-5-15-7-9/h3,5,7-8,10H,2,4,6H2,1H3
InChIKeyQDNRUNFWBCKYSK-UHFFFAOYSA-N
XLogP2.53
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.53
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

[3-(bromomethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone
CID 80666702
methyl (3R,4S)-1-(furan-3-carbonyl)-3-methylpiperidine-4-carboxylate
CID 99794318
(3-bromo-4-methylpiperidin-1-yl)-naphthalen-2-ylmethanone
CID 102962324
(3-ethyl-4-hydroxypiperidin-1-yl)-(furan-3-yl)methanone
CID 114509899
(3-bromo-4-methylpiperidin-1-yl)-(5-chlorofuran-2-yl)methanone
CID 106690241
(2,6-dimethylmorpholin-4-yl)-(furan-3-yl)methanone
CID 42922601
[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-3-yl)methanone
CID 129349585
1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl(furan-3-yl)methanone
CID 68602223
[3-ethyl-4-(methylamino)piperidin-1-yl]-(furan-3-yl)methanone
CID 114506512
N-[1-(furan-3-carbonyl)piperidin-4-yl]-N-methylacetamide
CID 47080410
(3-bromo-4-methylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 102962456
1-(3-bromo-4-methylpiperidin-1-yl)ethanone
CID 102962242

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylpiperidin-1-yl)-(furan-3-yl)methanone?
The IUPAC name of (3-bromo-4-methylpiperidin-1-yl)-(furan-3-yl)methanone (CID 102962435) is (3-bromo-4-methylpiperidin-1-yl)-(furan-3-yl)methanone.
What is the SMILES notation for (3-bromo-4-methylpiperidin-1-yl)-(furan-3-yl)methanone?
The canonical SMILES for (3-bromo-4-methylpiperidin-1-yl)-(furan-3-yl)methanone is CC1CCN(C(=O)c2ccoc2)CC1Br.
What is the InChIKey of (3-bromo-4-methylpiperidin-1-yl)-(furan-3-yl)methanone?
The InChIKey is QDNRUNFWBCKYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-8-2-4-13(6-10(8)12)11(14)9-3-5-15-7-9/h3,5,7-8,10H,2,4,6H2,1H3.
What are the key properties of (3-bromo-4-methylpiperidin-1-yl)-(furan-3-yl)methanone?
(3-bromo-4-methylpiperidin-1-yl)-(furan-3-yl)methanone has a molecular weight of 272.14 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methylpiperidin-1-yl)-(furan-3-yl)methanone is sourced from PubChem (CID 102962435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).