4-ethyl-2,3-dioxo-N-[2-oxo-1-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboxamide

C22H23N3O5 — CID 54395902

IUPAC4-ethyl-2,3-dioxo-N-[2-oxo-1-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NC(C=O)c2ccc(OCc3ccccc3)cc2)C(=O)C1=O
InChIInChI=1S/C22H23N3O5/c1-2-24-12-13-25(21(28)20(24)27)22(29)23-19(14-26)17-8-10-18(11-9-17)30-15-16-6-4-3-5-7-16/h3-11,14,19H,2,12-13,15H2,1H3,(H,23,29)
InChIKeyFWCGPAOJBSGFOQ-UHFFFAOYSA-N
MW409.44 g/mol
LogP1.91
Rot. Bonds7

About 4-ethyl-2,3-dioxo-N-[2-oxo-1-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboxamide

4-ethyl-2,3-dioxo-N-[2-oxo-1-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboxamide (PubChem CID 54395902) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is 4-ethyl-2,3-dioxo-N-[2-oxo-1-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-2,3-dioxo-N-[2-oxo-1-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboxamide
PubChem CID54395902
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name4-ethyl-2,3-dioxo-N-[2-oxo-1-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NC(C=O)c2ccc(OCc3ccccc3)cc2)C(=O)C1=O
InChIInChI=1S/C22H23N3O5/c1-2-24-12-13-25(21(28)20(24)27)22(29)23-19(14-26)17-8-10-18(11-9-17)30-15-16-6-4-3-5-7-16/h3-11,14,19H,2,12-13,15H2,1H3,(H,23,29)
InChIKeyFWCGPAOJBSGFOQ-UHFFFAOYSA-N
XLogP1.91
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetate
CID 7157273
methyl 4-oxo-3-(4-phenylmethoxyphenyl)butanoate
CID 118619469
benzyl (2S,5R,6R)-2-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-6-formamido-3,3-dimethyl-4,7-dioxo-4λ4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 88643820
methyl (2R)-4-oxo-2-(4-phenylmethoxyphenyl)butanoate
CID 86314561
[4-[1-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2,2-dimethylpropyl]phenyl] N-[9-[[4-[1-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2,2-dimethylpropyl]phenoxy]carbonylamino]nonyl]carbamate
CID 58895669
methyl 2-(phenylmethoxycarbonylamino)-2-(4-phenylmethoxyphenyl)acetate
CID 90753894
N-[(R)-cyano-(4-phenylmethoxyphenyl)methyl]acetamide
CID 95306841
4-acetyl-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 108988713
(3R)-3-[3-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-3-[4-(2-fluoroethoxy)phenyl]-2-oxopropyl]-2-hydroxy-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid
CID 158517555
(2R,4R,5R)-2-[(1R)-1-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-2-oxoethyl]-5-methyl-1,3-thiazinane-4-carboxylic acid
CID 137348327
1-[1-(4-phenylmethoxyphenyl)ethyl]piperidin-4-one
CID 167714155
methyl 3-hydroxy-4-methyl-2-[1-(4-phenylmethoxyphenyl)ethyl]pentanoate
CID 67666709

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3-dioxo-N-[2-oxo-1-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-ethyl-2,3-dioxo-N-[2-oxo-1-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboxamide (CID 54395902) is 4-ethyl-2,3-dioxo-N-[2-oxo-1-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-ethyl-2,3-dioxo-N-[2-oxo-1-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-ethyl-2,3-dioxo-N-[2-oxo-1-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboxamide is CCN1CCN(C(=O)NC(C=O)c2ccc(OCc3ccccc3)cc2)C(=O)C1=O.
What is the InChIKey of 4-ethyl-2,3-dioxo-N-[2-oxo-1-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is FWCGPAOJBSGFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-2-24-12-13-25(21(28)20(24)27)22(29)23-19(14-26)17-8-10-18(11-9-17)30-15-16-6-4-3-5-7-16/h3-11,14,19H,2,12-13,15H2,1H3,(H,23,29).
What are the key properties of 4-ethyl-2,3-dioxo-N-[2-oxo-1-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboxamide?
4-ethyl-2,3-dioxo-N-[2-oxo-1-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 409.44 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3-dioxo-N-[2-oxo-1-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 54395902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).