propyl 2-[(2S)-1-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate

C20H28N2O5 — CID 9236888

IUPACpropyl 2-[(2S)-1-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate
SMILESCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H](C)Oc1ccc(CC)cc1
InChIInChI=1S/C20H28N2O5/c1-4-12-26-18(23)13-17-19(24)21-10-11-22(17)20(25)14(3)27-16-8-6-15(5-2)7-9-16/h6-9,14,17H,4-5,10-13H2,1-3H3,(H,21,24)/t14-,17-/m0/s1
InChIKeyZNJDLZLUXJERRH-YOEHRIQHSA-N
MW376.45 g/mol
LogP1.69
Rot. Bonds8

About propyl 2-[(2S)-1-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate

propyl 2-[(2S)-1-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 9236888) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is propyl 2-[(2S)-1-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namepropyl 2-[(2S)-1-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate
PubChem CID9236888
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Namepropyl 2-[(2S)-1-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate
SMILESCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H](C)Oc1ccc(CC)cc1
InChIInChI=1S/C20H28N2O5/c1-4-12-26-18(23)13-17-19(24)21-10-11-22(17)20(25)14(3)27-16-8-6-15(5-2)7-9-16/h6-9,14,17H,4-5,10-13H2,1-3H3,(H,21,24)/t14-,17-/m0/s1
InChIKeyZNJDLZLUXJERRH-YOEHRIQHSA-N
XLogP1.69
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

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
propyl 2-[3-oxo-1-(4-propan-2-yloxybenzoyl)piperazin-2-yl]acetate
CID 4951912
methyl 2-[(2S)-1-[(2S)-2-(4-methylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate
CID 94182170
propyl 2-[3-oxo-1-(4-propoxybenzoyl)piperazin-2-yl]acetate
CID 4938477
propyl 2-[(2S)-1-[4-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 8714623
benzyl 2-[(2S)-1-[(2S)-2-(2,6-dimethylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate
CID 9297508
dodecyl 2-[1-(4-butan-2-yloxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17141331
decyl 2-[1-(4-butan-2-yloxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17141336
3-methylbutyl 2-[1-(4-butan-2-yloxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17141329
decyl 2-[1-[2-(4-methoxyphenyl)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17093864
tert-butyl 3-oxo-2-(2-oxo-2-propoxyethyl)piperazine-1-carboxylate
CID 3161315

Frequently Asked Questions

What is the IUPAC name of propyl 2-[(2S)-1-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of propyl 2-[(2S)-1-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate (CID 9236888) is propyl 2-[(2S)-1-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for propyl 2-[(2S)-1-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for propyl 2-[(2S)-1-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate is CCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H](C)Oc1ccc(CC)cc1.
What is the InChIKey of propyl 2-[(2S)-1-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is ZNJDLZLUXJERRH-YOEHRIQHSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-4-12-26-18(23)13-17-19(24)21-10-11-22(17)20(25)14(3)27-16-8-6-15(5-2)7-9-16/h6-9,14,17H,4-5,10-13H2,1-3H3,(H,21,24)/t14-,17-/m0/s1.
What are the key properties of propyl 2-[(2S)-1-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate?
propyl 2-[(2S)-1-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 376.45 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[(2S)-1-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 9236888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).