3-bromo-1-(3,3-dimethylcyclopentyl)piperidin-2-one

C12H20BrNO — CID 114541337

IUPAC3-bromo-1-(3,3-dimethylcyclopentyl)piperidin-2-one
SMILESCC1(C)CCC(N2CCCC(Br)C2=O)C1
InChIInChI=1S/C12H20BrNO/c1-12(2)6-5-9(8-12)14-7-3-4-10(13)11(14)15/h9-10H,3-8H2,1-2H3
InChIKeyCCRVFADJYLRQMT-UHFFFAOYSA-N
MW274.20 g/mol
LogP2.95
Rot. Bonds1

About 3-bromo-1-(3,3-dimethylcyclopentyl)piperidin-2-one

3-bromo-1-(3,3-dimethylcyclopentyl)piperidin-2-one (PubChem CID 114541337) has the molecular formula C12H20BrNO and a molecular weight of 274.20 g/mol. Its IUPAC name is 3-bromo-1-(3,3-dimethylcyclopentyl)piperidin-2-one.

Molecular Properties

Compound Name3-bromo-1-(3,3-dimethylcyclopentyl)piperidin-2-one
PubChem CID114541337
Molecular FormulaC12H20BrNO
Molecular Weight274.20 g/mol
Exact Mass273.07
IUPAC Name3-bromo-1-(3,3-dimethylcyclopentyl)piperidin-2-one
SMILESCC1(C)CCC(N2CCCC(Br)C2=O)C1
InChIInChI=1S/C12H20BrNO/c1-12(2)6-5-9(8-12)14-7-3-4-10(13)11(14)15/h9-10H,3-8H2,1-2H3
InChIKeyCCRVFADJYLRQMT-UHFFFAOYSA-N
XLogP2.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-1-(2,2,3,3-tetramethylcyclopropyl)piperidin-2-one
CID 79350617
3-bromo-1-(2,2-dimethylcyclohexyl)piperidin-2-one
CID 79877891
1-(3,3-dimethylcyclopentyl)-3-(propylamino)pyrrolidin-2-one
CID 114541375
3-(3,3-dimethylcyclopentyl)-5-methylimidazolidin-4-one
CID 114552415
3-bromo-1-cyclobutylpyrrolidin-2-one
CID 63788586
1-(4,4-dimethylcyclohexyl)pyrrolidin-2-one
CID 130233518
3-butan-2-yl-1-(3,3-dimethylcyclopentyl)-1,4-diazepane-2,5-dione
CID 114551444
(3S)-3-bromo-1-cyclohexylpyrrolidin-2-one
CID 124508773
3-bromo-1-(2,5-dimethyloxolan-3-yl)piperidin-2-one
CID 130992749
3-(3,3-dimethylcyclopentyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 114552438
3-bromo-1-[1-(1-methylcyclopropyl)cyclopropyl]piperidin-2-one
CID 130941266
(3S)-3-bromo-1-propan-2-ylpiperidin-2-one
CID 95354937

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(3,3-dimethylcyclopentyl)piperidin-2-one?
The IUPAC name of 3-bromo-1-(3,3-dimethylcyclopentyl)piperidin-2-one (CID 114541337) is 3-bromo-1-(3,3-dimethylcyclopentyl)piperidin-2-one.
What is the SMILES notation for 3-bromo-1-(3,3-dimethylcyclopentyl)piperidin-2-one?
The canonical SMILES for 3-bromo-1-(3,3-dimethylcyclopentyl)piperidin-2-one is CC1(C)CCC(N2CCCC(Br)C2=O)C1.
What is the InChIKey of 3-bromo-1-(3,3-dimethylcyclopentyl)piperidin-2-one?
The InChIKey is CCRVFADJYLRQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNO/c1-12(2)6-5-9(8-12)14-7-3-4-10(13)11(14)15/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-bromo-1-(3,3-dimethylcyclopentyl)piperidin-2-one?
3-bromo-1-(3,3-dimethylcyclopentyl)piperidin-2-one has a molecular weight of 274.20 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(3,3-dimethylcyclopentyl)piperidin-2-one is sourced from PubChem (CID 114541337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).