benzyl 2-(5-oxocyclopenten-1-yl)piperidine-1-carboxylate

C18H21NO3 — CID 73232289

IUPACbenzyl 2-(5-oxocyclopenten-1-yl)piperidine-1-carboxylate
SMILESO=C1CCC=C1C1CCCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C18H21NO3/c20-17-11-6-9-15(17)16-10-4-5-12-19(16)18(21)22-13-14-7-2-1-3-8-14/h1-3,7-9,16H,4-6,10-13H2
InChIKeyQWLZSMSCXGSWFT-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.47
Rot. Bonds3

About benzyl 2-(5-oxocyclopenten-1-yl)piperidine-1-carboxylate

benzyl 2-(5-oxocyclopenten-1-yl)piperidine-1-carboxylate (PubChem CID 73232289) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is benzyl 2-(5-oxocyclopenten-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(5-oxocyclopenten-1-yl)piperidine-1-carboxylate
PubChem CID73232289
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Namebenzyl 2-(5-oxocyclopenten-1-yl)piperidine-1-carboxylate
SMILESO=C1CCC=C1C1CCCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C18H21NO3/c20-17-11-6-9-15(17)16-10-4-5-12-19(16)18(21)22-13-14-7-2-1-3-8-14/h1-3,7-9,16H,4-6,10-13H2
InChIKeyQWLZSMSCXGSWFT-UHFFFAOYSA-N
XLogP3.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 89477385
benzyl 2-(sulfanylmethyl)piperidine-1-carboxylate
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benzyl 2-(3-aminophenyl)pyrrolidine-1-carboxylate
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benzyl 2-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxylate
CID 102541489
benzyl 2-(1-benzylpyridin-1-ium-3-yl)piperidine-1-carboxylate
CID 102054099
benzyl (2S)-2-cyanopiperidine-1-carboxylate
CID 27281979
benzyl (2S)-2-ethynylpyrrolidine-1-carboxylate
CID 101484973
benzyl 2-dimethoxyphosphorylpiperidine-1-carboxylate
CID 10734957
benzyl 2-nitropiperidine-1-carboxylate
CID 69325124
benzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 667614

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(5-oxocyclopenten-1-yl)piperidine-1-carboxylate?
The IUPAC name of benzyl 2-(5-oxocyclopenten-1-yl)piperidine-1-carboxylate (CID 73232289) is benzyl 2-(5-oxocyclopenten-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 2-(5-oxocyclopenten-1-yl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 2-(5-oxocyclopenten-1-yl)piperidine-1-carboxylate is O=C1CCC=C1C1CCCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(5-oxocyclopenten-1-yl)piperidine-1-carboxylate?
The InChIKey is QWLZSMSCXGSWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c20-17-11-6-9-15(17)16-10-4-5-12-19(16)18(21)22-13-14-7-2-1-3-8-14/h1-3,7-9,16H,4-6,10-13H2.
What are the key properties of benzyl 2-(5-oxocyclopenten-1-yl)piperidine-1-carboxylate?
benzyl 2-(5-oxocyclopenten-1-yl)piperidine-1-carboxylate has a molecular weight of 299.37 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(5-oxocyclopenten-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 73232289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).