methyl 2-[(2S)-1-[(2S)-2-(4-methylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate

C17H22N2O5 — CID 94182170

IUPACmethyl 2-[(2S)-1-[(2S)-2-(4-methylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H](C)Oc1ccc(C)cc1
InChIInChI=1S/C17H22N2O5/c1-11-4-6-13(7-5-11)24-12(2)17(22)19-9-8-18-16(21)14(19)10-15(20)23-3/h4-7,12,14H,8-10H2,1-3H3,(H,18,21)/t12-,14-/m0/s1
InChIKeyFPBREULFZWZXEI-JSGCOSHPSA-N
MW334.37 g/mol
LogP0.65
Rot. Bonds5

About methyl 2-[(2S)-1-[(2S)-2-(4-methylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate

methyl 2-[(2S)-1-[(2S)-2-(4-methylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 94182170) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is methyl 2-[(2S)-1-[(2S)-2-(4-methylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S)-1-[(2S)-2-(4-methylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate
PubChem CID94182170
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Namemethyl 2-[(2S)-1-[(2S)-2-(4-methylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H](C)Oc1ccc(C)cc1
InChIInChI=1S/C17H22N2O5/c1-11-4-6-13(7-5-11)24-12(2)17(22)19-9-8-18-16(21)14(19)10-15(20)23-3/h4-7,12,14H,8-10H2,1-3H3,(H,18,21)/t12-,14-/m0/s1
InChIKeyFPBREULFZWZXEI-JSGCOSHPSA-N
XLogP0.65
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2S)-1-[(2S)-2-(4-methylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate with MolForge

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Related Compounds

propyl 2-[(2S)-1-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate
CID 9236888
benzyl 2-[1-[2-(4-ethylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate
CID 4953360
benzyl 2-[(2R)-1-[(2R)-2-(4-ethylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate
CID 9236802
methyl 2-[1-[(4-methylbenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
CID 4927027
butan-2-yl 2-[1-[2-(2,5-dimethylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate
CID 17096908
(3S)-4-[(2R)-2-(4-methylphenoxy)propanoyl]-3-[(2-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 95811829
4-[2-(4-methylphenoxy)propanoyl]-3-[(2-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 110250413
(3R)-4-[(2R)-2-(4-methylphenoxy)propanoyl]-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 95812013
4-[2-(4-fluorophenoxy)propanoyl]-3-methylpiperazin-2-one
CID 63373720
methyl 2-[1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 17404752
tert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate
CID 2986153
methyl 2-[1-[2-(4-chlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 2919627

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S)-1-[(2S)-2-(4-methylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of methyl 2-[(2S)-1-[(2S)-2-(4-methylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate (CID 94182170) is methyl 2-[(2S)-1-[(2S)-2-(4-methylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S)-1-[(2S)-2-(4-methylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S)-1-[(2S)-2-(4-methylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate is COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H](C)Oc1ccc(C)cc1.
What is the InChIKey of methyl 2-[(2S)-1-[(2S)-2-(4-methylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is FPBREULFZWZXEI-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-11-4-6-13(7-5-11)24-12(2)17(22)19-9-8-18-16(21)14(19)10-15(20)23-3/h4-7,12,14H,8-10H2,1-3H3,(H,18,21)/t12-,14-/m0/s1.
What are the key properties of methyl 2-[(2S)-1-[(2S)-2-(4-methylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate?
methyl 2-[(2S)-1-[(2S)-2-(4-methylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 334.37 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S)-1-[(2S)-2-(4-methylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 94182170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).