benzyl 4-(2-oxoazetidin-1-yl)piperidine-1-carboxylate

C16H20N2O3 — CID 134957623

IUPACbenzyl 4-(2-oxoazetidin-1-yl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(N2CCC2=O)CC1
InChIInChI=1S/C16H20N2O3/c19-15-8-11-18(15)14-6-9-17(10-7-14)16(20)21-12-13-4-2-1-3-5-13/h1-5,14H,6-12H2
InChIKeyNGQRGALUCNFIIE-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.02
Rot. Bonds3

About benzyl 4-(2-oxoazetidin-1-yl)piperidine-1-carboxylate

benzyl 4-(2-oxoazetidin-1-yl)piperidine-1-carboxylate (PubChem CID 134957623) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is benzyl 4-(2-oxoazetidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(2-oxoazetidin-1-yl)piperidine-1-carboxylate
PubChem CID134957623
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Namebenzyl 4-(2-oxoazetidin-1-yl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(N2CCC2=O)CC1
InChIInChI=1S/C16H20N2O3/c19-15-8-11-18(15)14-6-9-17(10-7-14)16(20)21-12-13-4-2-1-3-5-13/h1-5,14H,6-12H2
InChIKeyNGQRGALUCNFIIE-UHFFFAOYSA-N
XLogP2.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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benzyl (4R)-4-pyrrolidin-1-ylazepane-1-carboxylate
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1-phenylmethoxycarbonylpiperidine-4-sulfinate
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CID 124666366
benzyl 4-(2-oxo-4-pyridin-4-ylimidazolidin-1-yl)piperidine-1-carboxylate
CID 68565475
benzyl (5S)-4-hydroxy-5-methoxyazepane-1-carboxylate
CID 118230308
benzyl 4-fluoro-5-oxoazocane-1-carboxylate
CID 122547365
benzyl 4-(4-methoxypiperidin-1-yl)piperidine-1-carboxylate
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CID 44828828

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(2-oxoazetidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(2-oxoazetidin-1-yl)piperidine-1-carboxylate (CID 134957623) is benzyl 4-(2-oxoazetidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(2-oxoazetidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(2-oxoazetidin-1-yl)piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(N2CCC2=O)CC1.
What is the InChIKey of benzyl 4-(2-oxoazetidin-1-yl)piperidine-1-carboxylate?
The InChIKey is NGQRGALUCNFIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15-8-11-18(15)14-6-9-17(10-7-14)16(20)21-12-13-4-2-1-3-5-13/h1-5,14H,6-12H2.
What are the key properties of benzyl 4-(2-oxoazetidin-1-yl)piperidine-1-carboxylate?
benzyl 4-(2-oxoazetidin-1-yl)piperidine-1-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(2-oxoazetidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 134957623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).