1-(2-bromofuran-3-carbonyl)piperidine-4-carbonitrile

C11H11BrN2O2 — CID 106852138

IUPAC1-(2-bromofuran-3-carbonyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)c2ccoc2Br)CC1
InChIInChI=1S/C11H11BrN2O2/c12-10-9(3-6-16-10)11(15)14-4-1-8(7-13)2-5-14/h3,6,8H,1-2,4-5H2
InChIKeyVCCXPHVWJZBTPQ-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.42
Rot. Bonds1

About 1-(2-bromofuran-3-carbonyl)piperidine-4-carbonitrile

1-(2-bromofuran-3-carbonyl)piperidine-4-carbonitrile (PubChem CID 106852138) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 1-(2-bromofuran-3-carbonyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2-bromofuran-3-carbonyl)piperidine-4-carbonitrile
PubChem CID106852138
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name1-(2-bromofuran-3-carbonyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)c2ccoc2Br)CC1
InChIInChI=1S/C11H11BrN2O2/c12-10-9(3-6-16-10)11(15)14-4-1-8(7-13)2-5-14/h3,6,8H,1-2,4-5H2
InChIKeyVCCXPHVWJZBTPQ-UHFFFAOYSA-N
XLogP2.42
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromofuran-3-yl)-(4-chloropiperidin-1-yl)methanone
CID 106856052
(2-bromofuran-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 106853680
(2-bromofuran-3-yl)-(3-chloro-4-methylpiperidin-1-yl)methanone
CID 106856247
(2-bromofuran-3-yl)-(3-methoxypyrrolidin-1-yl)methanone
CID 106854462
1-[4-bromo-2-(trifluoromethyl)benzoyl]piperidine-4-carbonitrile
CID 103925258
(2-bromofuran-3-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 106852967
1-(2-acetylbenzoyl)piperidine-4-carbonitrile
CID 91781325
1-(2-bromofuran-3-carbonyl)azetidine-3-carboxylic acid
CID 106851047
(2-bromofuran-3-yl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 106852804
1-(2,5-dimethylbenzoyl)piperidine-4-carbonitrile
CID 49064705
1-(2,3-dichlorobenzoyl)piperidine-4-carbonitrile
CID 49064699
(2-bromofuran-3-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 106853905

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-carbonyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(2-bromofuran-3-carbonyl)piperidine-4-carbonitrile (CID 106852138) is 1-(2-bromofuran-3-carbonyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(2-bromofuran-3-carbonyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(2-bromofuran-3-carbonyl)piperidine-4-carbonitrile is N#CC1CCN(C(=O)c2ccoc2Br)CC1.
What is the InChIKey of 1-(2-bromofuran-3-carbonyl)piperidine-4-carbonitrile?
The InChIKey is VCCXPHVWJZBTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c12-10-9(3-6-16-10)11(15)14-4-1-8(7-13)2-5-14/h3,6,8H,1-2,4-5H2.
What are the key properties of 1-(2-bromofuran-3-carbonyl)piperidine-4-carbonitrile?
1-(2-bromofuran-3-carbonyl)piperidine-4-carbonitrile has a molecular weight of 283.12 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-carbonyl)piperidine-4-carbonitrile is sourced from PubChem (CID 106852138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).