2-[4-(2-ethyl-3-oxopiperazine-1-carbonyl)phenoxy]acetic acid

C15H18N2O5 — CID 136552744

IUPAC2-[4-(2-ethyl-3-oxopiperazine-1-carbonyl)phenoxy]acetic acid
SMILESCCC1C(=O)NCCN1C(=O)c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C15H18N2O5/c1-2-12-14(20)16-7-8-17(12)15(21)10-3-5-11(6-4-10)22-9-13(18)19/h3-6,12H,2,7-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyVWCDGZPTIWFBFU-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.50
Rot. Bonds5

About 2-[4-(2-ethyl-3-oxopiperazine-1-carbonyl)phenoxy]acetic acid

2-[4-(2-ethyl-3-oxopiperazine-1-carbonyl)phenoxy]acetic acid (PubChem CID 136552744) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-[4-(2-ethyl-3-oxopiperazine-1-carbonyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(2-ethyl-3-oxopiperazine-1-carbonyl)phenoxy]acetic acid
PubChem CID136552744
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name2-[4-(2-ethyl-3-oxopiperazine-1-carbonyl)phenoxy]acetic acid
SMILESCCC1C(=O)NCCN1C(=O)c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C15H18N2O5/c1-2-12-14(20)16-7-8-17(12)15(21)10-3-5-11(6-4-10)22-9-13(18)19/h3-6,12H,2,7-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyVWCDGZPTIWFBFU-UHFFFAOYSA-N
XLogP0.50
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 62032410
pentyl 2-[1-(4-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17073678
butyl 2-[(2R)-3-oxo-1-(4-pentoxybenzoyl)piperazin-2-yl]acetate
CID 9298231
propyl 2-[3-oxo-1-(4-propoxybenzoyl)piperazin-2-yl]acetate
CID 4938477
3-phenylpropyl 2-[(2R)-1-(4-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 42426956
3-ethyl-4-(quinoxaline-6-carbonyl)piperazin-2-one
CID 63602080
decyl 2-[1-(4-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17093920
4-(3H-benzimidazole-5-carbonyl)-3-ethylpiperazin-2-one
CID 63602039
2-methoxyethyl 2-[1-[4-(2-methylprop-2-enoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 17123814
propan-2-yl 2-[3-oxo-1-[4-(2-phenoxyethoxy)benzoyl]piperazin-2-yl]acetate
CID 4952790
(3R)-3-ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one
CID 1382904
3-(2-ethyl-3-oxopiperazine-1-carbonyl)benzonitrile
CID 63600980

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethyl-3-oxopiperazine-1-carbonyl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(2-ethyl-3-oxopiperazine-1-carbonyl)phenoxy]acetic acid (CID 136552744) is 2-[4-(2-ethyl-3-oxopiperazine-1-carbonyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(2-ethyl-3-oxopiperazine-1-carbonyl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(2-ethyl-3-oxopiperazine-1-carbonyl)phenoxy]acetic acid is CCC1C(=O)NCCN1C(=O)c1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-(2-ethyl-3-oxopiperazine-1-carbonyl)phenoxy]acetic acid?
The InChIKey is VWCDGZPTIWFBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-2-12-14(20)16-7-8-17(12)15(21)10-3-5-11(6-4-10)22-9-13(18)19/h3-6,12H,2,7-9H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[4-(2-ethyl-3-oxopiperazine-1-carbonyl)phenoxy]acetic acid?
2-[4-(2-ethyl-3-oxopiperazine-1-carbonyl)phenoxy]acetic acid has a molecular weight of 306.32 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethyl-3-oxopiperazine-1-carbonyl)phenoxy]acetic acid is sourced from PubChem (CID 136552744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).