4-(bromomethyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one

C12H21BrN2O — CID 168503801

IUPAC4-(bromomethyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one
SMILESCCN1CCC(N2CC(CBr)CC2=O)CC1
InChIInChI=1S/C12H21BrN2O/c1-2-14-5-3-11(4-6-14)15-9-10(8-13)7-12(15)16/h10-11H,2-9H2,1H3
InChIKeyNIRQAZLCXSWCBF-UHFFFAOYSA-N
MW289.22 g/mol
LogP1.71
Rot. Bonds3

About 4-(bromomethyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one

4-(bromomethyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one (PubChem CID 168503801) has the molecular formula C12H21BrN2O and a molecular weight of 289.22 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one
PubChem CID168503801
Molecular FormulaC12H21BrN2O
Molecular Weight289.22 g/mol
Exact Mass288.08
IUPAC Name4-(bromomethyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one
SMILESCCN1CCC(N2CC(CBr)CC2=O)CC1
InChIInChI=1S/C12H21BrN2O/c1-2-14-5-3-11(4-6-14)15-9-10(8-13)7-12(15)16/h10-11H,2-9H2,1H3
InChIKeyNIRQAZLCXSWCBF-UHFFFAOYSA-N
XLogP1.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.22
LogP ≤ 51.71
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

4-(Bromomethyl)-1-(propan-2-yl)pyrrolidin-2-one
CID 129981818
3-Methyl-1-[4-(pyrrolidin-1-yl)piperidin-1-yl]butan-1-one
CID 806927
1-(1-Methylpiperidin-4-yl)pyrrolidin-2-one
CID 20673698
1-[3-(4-Methylpiperidin-1-yl)propyl]pyrrolidin-2-one
CID 47520540
1-[4-(3-Methylpyrrolidin-1-yl)piperidin-1-yl]ethanone
CID 57595846
(1-Propan-2-ylpiperidin-4-yl)-pyrrolidin-1-ylmethanone
CID 57815155
[3-(Dimethylamino)pyrrolidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 57957746
3-Methyl-1-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one
CID 58333440
1-(1-Propan-2-ylpiperidin-4-yl)pyrrolidin-2-one
CID 58547161
1-[1-(2-Methylpropyl)piperidin-4-yl]pyrrolidin-2-one
CID 59848756
1-(1-Ethylpiperidin-4-yl)pyrrolidin-2-one
CID 60090482
2-Methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
CID 61242662

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-(bromomethyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one (CID 168503801) is 4-(bromomethyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(bromomethyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(bromomethyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one is CCN1CCC(N2CC(CBr)CC2=O)CC1.
What is the InChIKey of 4-(bromomethyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one?
The InChIKey is NIRQAZLCXSWCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN2O/c1-2-14-5-3-11(4-6-14)15-9-10(8-13)7-12(15)16/h10-11H,2-9H2,1H3.
What are the key properties of 4-(bromomethyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one?
4-(bromomethyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one has a molecular weight of 289.22 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 168503801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).