2-bromo-1-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethanone

C12H19BrN2O2 — CID 102537702

IUPAC2-bromo-1-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethanone
SMILESO=C(C1CCCN1C(=O)CBr)N1CCCCC1
InChIInChI=1S/C12H19BrN2O2/c13-9-11(16)15-8-4-5-10(15)12(17)14-6-2-1-3-7-14/h10H,1-9H2
InChIKeyDYCAINPWHBLDCP-UHFFFAOYSA-N
MW303.20 g/mol
LogP1.38
Rot. Bonds2

About 2-bromo-1-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethanone

2-bromo-1-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethanone (PubChem CID 102537702) has the molecular formula C12H19BrN2O2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 2-bromo-1-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-bromo-1-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethanone
PubChem CID102537702
Molecular FormulaC12H19BrN2O2
Molecular Weight303.20 g/mol
Exact Mass302.06
IUPAC Name2-bromo-1-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethanone
SMILESO=C(C1CCCN1C(=O)CBr)N1CCCCC1
InChIInChI=1S/C12H19BrN2O2/c13-9-11(16)15-8-4-5-10(15)12(17)14-6-2-1-3-7-14/h10H,1-9H2
InChIKeyDYCAINPWHBLDCP-UHFFFAOYSA-N
XLogP1.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 51.38
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

1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 53015946
1-[(2R)-2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 94582616
3,3-dimethyl-1,5-bis[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pentane-1,5-dione
CID 10928641
(2S)-1-(2-bromoacetyl)pyrrolidine-2-carboxamide
CID 11042691
tert-butyl (2S)-2-(azepane-1-carbonyl)pyrrolidine-1-carboxylate
CID 10469863
1-[2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 42702614
methyl (2R)-2-(piperidine-1-carbonyl)piperidine-1-carboxylate
CID 44550100
(2S)-1-[(2S)-1-[5-(azepan-1-yl)-5-oxopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 11373162
azepan-1-yl-(1-methylpyrrolidin-2-yl)methanone
CID 110856335
4-phenyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 3081017
(3R)-1-[(2S)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]piperidine-3-carboxamide
CID 95332251
2-cyclopentyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 61175911

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-bromo-1-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethanone (CID 102537702) is 2-bromo-1-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-bromo-1-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-bromo-1-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethanone is O=C(C1CCCN1C(=O)CBr)N1CCCCC1.
What is the InChIKey of 2-bromo-1-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethanone?
The InChIKey is DYCAINPWHBLDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2/c13-9-11(16)15-8-4-5-10(15)12(17)14-6-2-1-3-7-14/h10H,1-9H2.
What are the key properties of 2-bromo-1-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethanone?
2-bromo-1-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethanone has a molecular weight of 303.20 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 102537702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).