benzyl 2-(4-oxopiperidin-1-yl)propanoate

C15H19NO3 — CID 82342726

IUPACbenzyl 2-(4-oxopiperidin-1-yl)propanoate
SMILESCC(C(=O)OCc1ccccc1)N1CCC(=O)CC1
InChIInChI=1S/C15H19NO3/c1-12(16-9-7-14(17)8-10-16)15(18)19-11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyBLSIPYARNAQFES-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.78
Rot. Bonds4

About benzyl 2-(4-oxopiperidin-1-yl)propanoate

benzyl 2-(4-oxopiperidin-1-yl)propanoate (PubChem CID 82342726) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is benzyl 2-(4-oxopiperidin-1-yl)propanoate.

Molecular Properties

Compound Namebenzyl 2-(4-oxopiperidin-1-yl)propanoate
PubChem CID82342726
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namebenzyl 2-(4-oxopiperidin-1-yl)propanoate
SMILESCC(C(=O)OCc1ccccc1)N1CCC(=O)CC1
InChIInChI=1S/C15H19NO3/c1-12(16-9-7-14(17)8-10-16)15(18)19-11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyBLSIPYARNAQFES-UHFFFAOYSA-N
XLogP1.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl carbonochloridate;1-benzylpiperidin-4-one;ethane
CID 90736428
benzyl 2-[(4R)-3-oxo-4-(propan-2-ylamino)pyrrolidin-1-yl]propanoate
CID 139548074
benzyl 2-(3,4-dihydro-2H-quinolin-1-yl)propanoate
CID 139697216
benzyl 2-(9-azabicyclo[3.3.1]nonan-9-yl)propanoate
CID 174258999
benzyl 2-pyrrolidin-1-ylacetate;ethyl 2-piperidin-1-ylpropanoate
CID 161163924
benzyl (2S)-2-aminopropanoate
CID 726858
benzyl (3R)-3-amino-3-(2,5-dioxocyclopentyl)-2-methylpropanoate
CID 66720485
benzyl 2-(3-amino-2-oxoazocan-1-yl)propanoate
CID 23322536
benzyl 4-(3-oxopentan-2-yl)piperazine-1-carboxylate
CID 90862168
benzyl 3-(azocan-1-yl)-2-methylpropanoate
CID 106484232
benzyl (2S)-3-methyl-2-(2-oxopiperidin-1-yl)butanoate
CID 130457082
benzyl (2S)-2-(2,6-dioxopiperidin-1-yl)-3-methylbutanoate
CID 68766803

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(4-oxopiperidin-1-yl)propanoate?
The IUPAC name of benzyl 2-(4-oxopiperidin-1-yl)propanoate (CID 82342726) is benzyl 2-(4-oxopiperidin-1-yl)propanoate.
What is the SMILES notation for benzyl 2-(4-oxopiperidin-1-yl)propanoate?
The canonical SMILES for benzyl 2-(4-oxopiperidin-1-yl)propanoate is CC(C(=O)OCc1ccccc1)N1CCC(=O)CC1.
What is the InChIKey of benzyl 2-(4-oxopiperidin-1-yl)propanoate?
The InChIKey is BLSIPYARNAQFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-12(16-9-7-14(17)8-10-16)15(18)19-11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3.
What are the key properties of benzyl 2-(4-oxopiperidin-1-yl)propanoate?
benzyl 2-(4-oxopiperidin-1-yl)propanoate has a molecular weight of 261.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(4-oxopiperidin-1-yl)propanoate is sourced from PubChem (CID 82342726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).