ethyl 2-[(3R)-3-benzyl-3-hydroxy-2-oxopiperidin-1-yl]acetate

C16H21NO4 — CID 100949445

IUPACethyl 2-[(3R)-3-benzyl-3-hydroxy-2-oxopiperidin-1-yl]acetate
SMILESCCOC(=O)CN1CCC[C@@](O)(Cc2ccccc2)C1=O
InChIInChI=1S/C16H21NO4/c1-2-21-14(18)12-17-10-6-9-16(20,15(17)19)11-13-7-4-3-5-8-13/h3-5,7-8,20H,2,6,9-12H2,1H3/t16-/m1/s1
InChIKeyISKXESMHVSNRQC-MRXNPFEDSA-N
MW291.35 g/mol
LogP1.15
Rot. Bonds5

About ethyl 2-[(3R)-3-benzyl-3-hydroxy-2-oxopiperidin-1-yl]acetate

ethyl 2-[(3R)-3-benzyl-3-hydroxy-2-oxopiperidin-1-yl]acetate (PubChem CID 100949445) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is ethyl 2-[(3R)-3-benzyl-3-hydroxy-2-oxopiperidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(3R)-3-benzyl-3-hydroxy-2-oxopiperidin-1-yl]acetate
PubChem CID100949445
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Nameethyl 2-[(3R)-3-benzyl-3-hydroxy-2-oxopiperidin-1-yl]acetate
SMILESCCOC(=O)CN1CCC[C@@](O)(Cc2ccccc2)C1=O
InChIInChI=1S/C16H21NO4/c1-2-21-14(18)12-17-10-6-9-16(20,15(17)19)11-13-7-4-3-5-8-13/h3-5,7-8,20H,2,6,9-12H2,1H3/t16-/m1/s1
InChIKeyISKXESMHVSNRQC-MRXNPFEDSA-N
XLogP1.15
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-[(3S)-3-amino-2-oxo-3-(2-phenylethyl)piperidin-1-yl]acetate
CID 174402054
ethyl 2-[(4S,5R)-10-oxo-4-phenyl-2-sulfanylidene-1,3-dioxa-9-azaspiro[4.5]decan-9-yl]acetate
CID 100949444
benzyl 2-[(3R)-3-hydroxy-3-[(S)-hydroxy(phenyl)methyl]-2-oxopiperidin-1-yl]acetate
CID 100949439
tert-butyl (3S)-3-benzyl-3-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 11792947
methyl 2-[4-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]-2-oxopiperazin-1-yl]acetate
CID 56711235
ethyl 2-(4-benzyl-4-hydroxycyclohexyl)acetate
CID 58909897
ethyl 2-[4-benzyl-7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 14031656
ethyl 1-benzyl-3-hydroxy-2-oxopyrrolidine-3-carboxylate
CID 123926319
ethyl 2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetate
CID 70099670
ethyl 2-[[1-(2-ethoxy-2-oxoethyl)-2-oxoazonan-3-yl]amino]-4-phenylbutanoate
CID 23322753
ethyl 2-[(4R)-4-(dibenzylamino)-2-oxopiperidin-1-yl]acetate
CID 10762341
(3S)-3-hydroxy-3-[[2-hydroxyethyl(methyl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one
CID 95227431

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3R)-3-benzyl-3-hydroxy-2-oxopiperidin-1-yl]acetate?
The IUPAC name of ethyl 2-[(3R)-3-benzyl-3-hydroxy-2-oxopiperidin-1-yl]acetate (CID 100949445) is ethyl 2-[(3R)-3-benzyl-3-hydroxy-2-oxopiperidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[(3R)-3-benzyl-3-hydroxy-2-oxopiperidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[(3R)-3-benzyl-3-hydroxy-2-oxopiperidin-1-yl]acetate is CCOC(=O)CN1CCC[C@@](O)(Cc2ccccc2)C1=O.
What is the InChIKey of ethyl 2-[(3R)-3-benzyl-3-hydroxy-2-oxopiperidin-1-yl]acetate?
The InChIKey is ISKXESMHVSNRQC-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21NO4/c1-2-21-14(18)12-17-10-6-9-16(20,15(17)19)11-13-7-4-3-5-8-13/h3-5,7-8,20H,2,6,9-12H2,1H3/t16-/m1/s1.
What are the key properties of ethyl 2-[(3R)-3-benzyl-3-hydroxy-2-oxopiperidin-1-yl]acetate?
ethyl 2-[(3R)-3-benzyl-3-hydroxy-2-oxopiperidin-1-yl]acetate has a molecular weight of 291.35 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3R)-3-benzyl-3-hydroxy-2-oxopiperidin-1-yl]acetate is sourced from PubChem (CID 100949445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).