2-[(3S)-2-oxo-3-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]acetic acid;hydrochloride

C15H19ClN2O5 — CID 70046324

IUPAC2-[(3S)-2-oxo-3-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]acetic acid;hydrochloride
SMILESCl.O=C(O)CN1CCN[C@@H](CC(=O)OCc2ccccc2)C1=O
InChIInChI=1S/C15H18N2O5.ClH/c18-13(19)9-17-7-6-16-12(15(17)21)8-14(20)22-10-11-4-2-1-3-5-11;/h1-5,12,16H,6-10H2,(H,18,19);1H/t12-;/m0./s1
InChIKeyWRBQERWTPZCBAF-YDALLXLXSA-N
MW342.78 g/mol
LogP0.43
Rot. Bonds6

About 2-[(3S)-2-oxo-3-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]acetic acid;hydrochloride

2-[(3S)-2-oxo-3-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]acetic acid;hydrochloride (PubChem CID 70046324) has the molecular formula C15H19ClN2O5 and a molecular weight of 342.78 g/mol. Its IUPAC name is 2-[(3S)-2-oxo-3-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[(3S)-2-oxo-3-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]acetic acid;hydrochloride
PubChem CID70046324
Molecular FormulaC15H19ClN2O5
Molecular Weight342.78 g/mol
Exact Mass342.10
IUPAC Name2-[(3S)-2-oxo-3-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]acetic acid;hydrochloride
SMILESCl.O=C(O)CN1CCN[C@@H](CC(=O)OCc2ccccc2)C1=O
InChIInChI=1S/C15H18N2O5.ClH/c18-13(19)9-17-7-6-16-12(15(17)21)8-14(20)22-10-11-4-2-1-3-5-11;/h1-5,12,16H,6-10H2,(H,18,19);1H/t12-;/m0./s1
InChIKeyWRBQERWTPZCBAF-YDALLXLXSA-N
XLogP0.43
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetate
CID 110282921
benzyl 2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetate
CID 110283700
2-(4-benzyl-3-oxopiperazin-2-yl)acetamide;hydrochloride
CID 110283164
benzyl 2-[(2S)-3-oxopiperazin-2-yl]acetate
CID 952327
N-benzyl-2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide;hydrochloride
CID 110282667
2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-diethylacetamide;hydrochloride
CID 110283124
benzyl 2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetate
CID 69362686
2-(4-benzyl-3-oxopiperazin-2-yl)-N-cyclohexylacetamide;hydrochloride
CID 110283193
ethyl 2-(4-ethyl-3-oxopiperazin-2-yl)acetate
CID 110282529
3-[2-(azepan-1-yl)-2-oxoethyl]-1-benzylpiperazin-2-one
CID 110283147
ethyl 2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 110283992
2-(4-benzyl-3-oxopiperazin-2-yl)-N-cyclopropylacetamide
CID 110283187

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-2-oxo-3-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]acetic acid;hydrochloride?
The IUPAC name of 2-[(3S)-2-oxo-3-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]acetic acid;hydrochloride (CID 70046324) is 2-[(3S)-2-oxo-3-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[(3S)-2-oxo-3-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]acetic acid;hydrochloride?
The canonical SMILES for 2-[(3S)-2-oxo-3-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]acetic acid;hydrochloride is Cl.O=C(O)CN1CCN[C@@H](CC(=O)OCc2ccccc2)C1=O.
What is the InChIKey of 2-[(3S)-2-oxo-3-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]acetic acid;hydrochloride?
The InChIKey is WRBQERWTPZCBAF-YDALLXLXSA-N. The full InChI is InChI=1S/C15H18N2O5.ClH/c18-13(19)9-17-7-6-16-12(15(17)21)8-14(20)22-10-11-4-2-1-3-5-11;/h1-5,12,16H,6-10H2,(H,18,19);1H/t12-;/m0./s1.
What are the key properties of 2-[(3S)-2-oxo-3-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]acetic acid;hydrochloride?
2-[(3S)-2-oxo-3-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]acetic acid;hydrochloride has a molecular weight of 342.78 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-2-oxo-3-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]acetic acid;hydrochloride is sourced from PubChem (CID 70046324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).