3-bromo-1-[1-(1-methylcyclopropyl)cyclopropyl]piperidin-2-one

C12H18BrNO — CID 130941266

IUPAC3-bromo-1-[1-(1-methylcyclopropyl)cyclopropyl]piperidin-2-one
SMILESCC1(C2(N3CCCC(Br)C3=O)CC2)CC1
InChIInChI=1S/C12H18BrNO/c1-11(4-5-11)12(6-7-12)14-8-2-3-9(13)10(14)15/h9H,2-8H2,1H3
InChIKeyHKCVWOBKZAGMMK-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.70
Rot. Bonds2

About 3-bromo-1-[1-(1-methylcyclopropyl)cyclopropyl]piperidin-2-one

3-bromo-1-[1-(1-methylcyclopropyl)cyclopropyl]piperidin-2-one (PubChem CID 130941266) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 3-bromo-1-[1-(1-methylcyclopropyl)cyclopropyl]piperidin-2-one.

Molecular Properties

Compound Name3-bromo-1-[1-(1-methylcyclopropyl)cyclopropyl]piperidin-2-one
PubChem CID130941266
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name3-bromo-1-[1-(1-methylcyclopropyl)cyclopropyl]piperidin-2-one
SMILESCC1(C2(N3CCCC(Br)C3=O)CC2)CC1
InChIInChI=1S/C12H18BrNO/c1-11(4-5-11)12(6-7-12)14-8-2-3-9(13)10(14)15/h9H,2-8H2,1H3
InChIKeyHKCVWOBKZAGMMK-UHFFFAOYSA-N
XLogP2.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.70
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
3-bromo-1-(3,3-dimethylcyclopentyl)piperidin-2-one
CID 114541337
(3S)-3-bromo-1-propan-2-ylpiperidin-2-one
CID 95354937
3-bromo-1-[(2-methylthiolan-2-yl)methyl]piperidin-2-one
CID 80724485
3-bromo-1-(1-cyclopropylpropyl)piperidin-2-one
CID 130729607
3-bromo-1-(2-methylprop-2-enyl)piperidin-2-one
CID 114619151
2-(1-methylcyclopentyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944728
tert-butyl 3-bromo-2-oxopiperidine-1-carboxylate
CID 86276594
3-bromo-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]piperidin-2-one
CID 79266958
3-bromo-1-(2,2,3,3-tetrafluoropropyl)piperidin-2-one
CID 106292732
3-bromo-1-(4,4-dimethylpentan-2-yl)piperidin-2-one
CID 131207467

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[1-(1-methylcyclopropyl)cyclopropyl]piperidin-2-one?
The IUPAC name of 3-bromo-1-[1-(1-methylcyclopropyl)cyclopropyl]piperidin-2-one (CID 130941266) is 3-bromo-1-[1-(1-methylcyclopropyl)cyclopropyl]piperidin-2-one.
What is the SMILES notation for 3-bromo-1-[1-(1-methylcyclopropyl)cyclopropyl]piperidin-2-one?
The canonical SMILES for 3-bromo-1-[1-(1-methylcyclopropyl)cyclopropyl]piperidin-2-one is CC1(C2(N3CCCC(Br)C3=O)CC2)CC1.
What is the InChIKey of 3-bromo-1-[1-(1-methylcyclopropyl)cyclopropyl]piperidin-2-one?
The InChIKey is HKCVWOBKZAGMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-11(4-5-11)12(6-7-12)14-8-2-3-9(13)10(14)15/h9H,2-8H2,1H3.
What are the key properties of 3-bromo-1-[1-(1-methylcyclopropyl)cyclopropyl]piperidin-2-one?
3-bromo-1-[1-(1-methylcyclopropyl)cyclopropyl]piperidin-2-one has a molecular weight of 272.19 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[1-(1-methylcyclopropyl)cyclopropyl]piperidin-2-one is sourced from PubChem (CID 130941266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).