ethyl 2-[1-(3-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate

C16H20N2O5 — CID 3791616

IUPACethyl 2-[1-(3-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate
SMILESCCOC(=O)CC1C(=O)NCCN1C(=O)c1cccc(OC)c1
InChIInChI=1S/C16H20N2O5/c1-3-23-14(19)10-13-15(20)17-7-8-18(13)16(21)11-5-4-6-12(9-11)22-2/h4-6,9,13H,3,7-8,10H2,1-2H3,(H,17,20)
InChIKeyYTPNSCRSXWHUMV-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.59
Rot. Bonds5

About ethyl 2-[1-(3-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate

ethyl 2-[1-(3-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate (PubChem CID 3791616) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is ethyl 2-[1-(3-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(3-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate
PubChem CID3791616
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Nameethyl 2-[1-(3-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate
SMILESCCOC(=O)CC1C(=O)NCCN1C(=O)c1cccc(OC)c1
InChIInChI=1S/C16H20N2O5/c1-3-23-14(19)10-13-15(20)17-7-8-18(13)16(21)11-5-4-6-12(9-11)22-2/h4-6,9,13H,3,7-8,10H2,1-2H3,(H,17,20)
InChIKeyYTPNSCRSXWHUMV-UHFFFAOYSA-N
XLogP0.59
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(3-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate?
The IUPAC name of ethyl 2-[1-(3-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate (CID 3791616) is ethyl 2-[1-(3-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(3-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for ethyl 2-[1-(3-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate is CCOC(=O)CC1C(=O)NCCN1C(=O)c1cccc(OC)c1.
What is the InChIKey of ethyl 2-[1-(3-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate?
The InChIKey is YTPNSCRSXWHUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-3-23-14(19)10-13-15(20)17-7-8-18(13)16(21)11-5-4-6-12(9-11)22-2/h4-6,9,13H,3,7-8,10H2,1-2H3,(H,17,20).
What are the key properties of ethyl 2-[1-(3-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate?
ethyl 2-[1-(3-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate has a molecular weight of 320.35 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(3-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 3791616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).