ethyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate

C15H19N3O4 — CID 2967805

IUPACethyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate
SMILESCCOC(=O)CC1C(=O)NCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C15H19N3O4/c1-2-22-13(19)10-12-14(20)16-8-9-18(12)15(21)17-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,16,20)(H,17,21)
InChIKeyVLESEFXDRIVONG-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.97
Rot. Bonds4

About ethyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate

ethyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate (PubChem CID 2967805) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is ethyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate
PubChem CID2967805
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Nameethyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate
SMILESCCOC(=O)CC1C(=O)NCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C15H19N3O4/c1-2-22-13(19)10-12-14(20)16-8-9-18(12)15(21)17-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,16,20)(H,17,21)
InChIKeyVLESEFXDRIVONG-UHFFFAOYSA-N
XLogP0.97
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Imidazolidineacetic acid, 2,5-dioxo-1-phenyl-
CID 2913270
2-Pyrazineacetic acid, 1-[[(4-fluorophenyl)amino]carbonothioyl]hexahydro-3-oxo-, methyl ester
CID 4887586
Methyl 1-(anilinocarbonyl)-4-piperidinecarboxylate
CID 894806
Methyl (1-{[(3-methylphenyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate
CID 2949761
[1-(4-Chloro-phenylcarbamoyl)-3-oxo-piperazin-2-yl]-acetic acid methyl ester
CID 2951196
Methyl {1-[(4-ethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate
CID 2957697
Methyl {1-[(2-chlorophenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate
CID 2955512
methyl 2-{1-[N-(3-chlorophenyl)carbamoyl]-3-oxopiperazin-2-yl}acetate
CID 2957863
Methyl 1-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 8742085
Ethyl (1-{[(4-chlorophenyl)amino]carbonyl}-3-oxodecahydro-2-quinoxalinyl)acetate
CID 2967125
Methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate
CID 2955269
Methyl 2-(1-{[(2-ethylphenyl)amino]thioxomethyl}-3-oxopiperazin-2-yl)acetate
CID 2950628

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate?
The IUPAC name of ethyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate (CID 2967805) is ethyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate?
The canonical SMILES for ethyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate is CCOC(=O)CC1C(=O)NCCN1C(=O)Nc1ccccc1.
What is the InChIKey of ethyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate?
The InChIKey is VLESEFXDRIVONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-2-22-13(19)10-12-14(20)16-8-9-18(12)15(21)17-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,16,20)(H,17,21).
What are the key properties of ethyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate?
ethyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate has a molecular weight of 305.33 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate is sourced from PubChem (CID 2967805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).