benzyl 2-[(3S)-3-amino-2-oxo-3-(2-phenylethyl)piperidin-1-yl]acetate

C22H26N2O3 — CID 174402054

IUPACbenzyl 2-[(3S)-3-amino-2-oxo-3-(2-phenylethyl)piperidin-1-yl]acetate
SMILESN[C@@]1(CCc2ccccc2)CCCN(CC(=O)OCc2ccccc2)C1=O
InChIInChI=1S/C22H26N2O3/c23-22(14-12-18-8-3-1-4-9-18)13-7-15-24(21(22)26)16-20(25)27-17-19-10-5-2-6-11-19/h1-6,8-11H,7,12-17,23H2/t22-/m1/s1
InChIKeyZKAHPIDBGJZBAW-JOCHJYFZSA-N
MW366.46 g/mol
LogP2.68
Rot. Bonds7

About benzyl 2-[(3S)-3-amino-2-oxo-3-(2-phenylethyl)piperidin-1-yl]acetate

benzyl 2-[(3S)-3-amino-2-oxo-3-(2-phenylethyl)piperidin-1-yl]acetate (PubChem CID 174402054) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is benzyl 2-[(3S)-3-amino-2-oxo-3-(2-phenylethyl)piperidin-1-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[(3S)-3-amino-2-oxo-3-(2-phenylethyl)piperidin-1-yl]acetate
PubChem CID174402054
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Namebenzyl 2-[(3S)-3-amino-2-oxo-3-(2-phenylethyl)piperidin-1-yl]acetate
SMILESN[C@@]1(CCc2ccccc2)CCCN(CC(=O)OCc2ccccc2)C1=O
InChIInChI=1S/C22H26N2O3/c23-22(14-12-18-8-3-1-4-9-18)13-7-15-24(21(22)26)16-20(25)27-17-19-10-5-2-6-11-19/h1-6,8-11H,7,12-17,23H2/t22-/m1/s1
InChIKeyZKAHPIDBGJZBAW-JOCHJYFZSA-N
XLogP2.68
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-[(3R)-3-hydroxy-3-[(S)-hydroxy(phenyl)methyl]-2-oxopiperidin-1-yl]acetate
CID 100949439
ethyl 2-[(3R)-3-benzyl-3-hydroxy-2-oxopiperidin-1-yl]acetate
CID 100949445
benzyl 2-(azetidin-1-yl)acetate
CID 140980014
benzyl 2-[4-(2-oxo-2-phenylmethoxyethyl)-1,4-diazepan-1-yl]acetate
CID 101385594
2-(3-amino-3-benzyl-2-oxopiperidin-1-yl)acetaldehyde
CID 173329951
methyl 3-oxo-2-(2-oxo-2-phenylmethoxyethyl)spiro[1,5-dihydro-2-benzazepine-4,2'-pyrrolidine]-1'-carboxylate
CID 11683243
benzyl 2-(3-oxomorpholin-4-yl)acetate;2-(3-oxomorpholin-4-yl)acetic acid
CID 158991156
1-(2-cyclopentylacetyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162628512
benzyl 2-[3-amino-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)-4,5-dihydro-1-benzazepin-3-yl]acetate
CID 70107223
benzyl 3-amino-3-ethylpiperidine-1-carboxylate
CID 165464075
(4-phenylphenyl)methyl 2-(4-oxo-1,3-thiazolidin-3-yl)acetate
CID 24633772
(2R)-2-ethoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 70104590

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(3S)-3-amino-2-oxo-3-(2-phenylethyl)piperidin-1-yl]acetate?
The IUPAC name of benzyl 2-[(3S)-3-amino-2-oxo-3-(2-phenylethyl)piperidin-1-yl]acetate (CID 174402054) is benzyl 2-[(3S)-3-amino-2-oxo-3-(2-phenylethyl)piperidin-1-yl]acetate.
What is the SMILES notation for benzyl 2-[(3S)-3-amino-2-oxo-3-(2-phenylethyl)piperidin-1-yl]acetate?
The canonical SMILES for benzyl 2-[(3S)-3-amino-2-oxo-3-(2-phenylethyl)piperidin-1-yl]acetate is N[C@@]1(CCc2ccccc2)CCCN(CC(=O)OCc2ccccc2)C1=O.
What is the InChIKey of benzyl 2-[(3S)-3-amino-2-oxo-3-(2-phenylethyl)piperidin-1-yl]acetate?
The InChIKey is ZKAHPIDBGJZBAW-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H26N2O3/c23-22(14-12-18-8-3-1-4-9-18)13-7-15-24(21(22)26)16-20(25)27-17-19-10-5-2-6-11-19/h1-6,8-11H,7,12-17,23H2/t22-/m1/s1.
What are the key properties of benzyl 2-[(3S)-3-amino-2-oxo-3-(2-phenylethyl)piperidin-1-yl]acetate?
benzyl 2-[(3S)-3-amino-2-oxo-3-(2-phenylethyl)piperidin-1-yl]acetate has a molecular weight of 366.46 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(3S)-3-amino-2-oxo-3-(2-phenylethyl)piperidin-1-yl]acetate is sourced from PubChem (CID 174402054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).