(2-oxo-2-piperidin-1-ylethyl) (2S)-2-benzamido-3-phenylpropanoate

C23H26N2O4 — CID 7689318

IUPAC(2-oxo-2-piperidin-1-ylethyl) (2S)-2-benzamido-3-phenylpropanoate
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)OCC(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C23H26N2O4/c26-21(25-14-8-3-9-15-25)17-29-23(28)20(16-18-10-4-1-5-11-18)24-22(27)19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,24,27)/t20-/m0/s1
InChIKeyJOPIGJOJTVWIFC-FQEVSTJZSA-N
MW394.47 g/mol
LogP2.58
Rot. Bonds7

About (2-oxo-2-piperidin-1-ylethyl) (2S)-2-benzamido-3-phenylpropanoate

(2-oxo-2-piperidin-1-ylethyl) (2S)-2-benzamido-3-phenylpropanoate (PubChem CID 7689318) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) (2S)-2-benzamido-3-phenylpropanoate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) (2S)-2-benzamido-3-phenylpropanoate
PubChem CID7689318
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) (2S)-2-benzamido-3-phenylpropanoate
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)OCC(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C23H26N2O4/c26-21(25-14-8-3-9-15-25)17-29-23(28)20(16-18-10-4-1-5-11-18)24-22(27)19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,24,27)/t20-/m0/s1
InChIKeyJOPIGJOJTVWIFC-FQEVSTJZSA-N
XLogP2.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 2382906
3-(aminomethyl)-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide;hydrochloride
CID 119044825
4-methoxy-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide
CID 5021960
N-[1-(azocan-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 71884193
3-methoxy-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzamide
CID 110347364
[2-(ethylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 2582560
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 2582585
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 2342367
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 7842645
methyl N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]carbamate
CID 110347389
[2-(azepan-1-yl)-2-oxoethyl] benzoate
CID 2357110
phenacyl (2S)-2-[(4-chlorobenzoyl)amino]-3-phenylpropanoate
CID 40796590

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) (2S)-2-benzamido-3-phenylpropanoate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) (2S)-2-benzamido-3-phenylpropanoate (CID 7689318) is (2-oxo-2-piperidin-1-ylethyl) (2S)-2-benzamido-3-phenylpropanoate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) (2S)-2-benzamido-3-phenylpropanoate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) (2S)-2-benzamido-3-phenylpropanoate is O=C(N[C@@H](Cc1ccccc1)C(=O)OCC(=O)N1CCCCC1)c1ccccc1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) (2S)-2-benzamido-3-phenylpropanoate?
The InChIKey is JOPIGJOJTVWIFC-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H26N2O4/c26-21(25-14-8-3-9-15-25)17-29-23(28)20(16-18-10-4-1-5-11-18)24-22(27)19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,24,27)/t20-/m0/s1.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) (2S)-2-benzamido-3-phenylpropanoate?
(2-oxo-2-piperidin-1-ylethyl) (2S)-2-benzamido-3-phenylpropanoate has a molecular weight of 394.47 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) (2S)-2-benzamido-3-phenylpropanoate is sourced from PubChem (CID 7689318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).