ethyl 2-[[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazine-1-carbonyl]amino]acetate

C14H24N4O6 — CID 44533096

IUPACethyl 2-[[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCN(C(=O)NCC(=O)OCC)CC1
InChIInChI=1S/C14H24N4O6/c1-3-23-11(19)9-15-13(21)17-5-7-18(8-6-17)14(22)16-10-12(20)24-4-2/h3-10H2,1-2H3,(H,15,21)(H,16,22)
InChIKeyUZDOIQLHWQMVKY-UHFFFAOYSA-N
MW344.37 g/mol
LogP-0.85
Rot. Bonds6

About ethyl 2-[[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazine-1-carbonyl]amino]acetate

ethyl 2-[[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazine-1-carbonyl]amino]acetate (PubChem CID 44533096) has the molecular formula C14H24N4O6 and a molecular weight of 344.37 g/mol. Its IUPAC name is ethyl 2-[[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazine-1-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazine-1-carbonyl]amino]acetate
PubChem CID44533096
Molecular FormulaC14H24N4O6
Molecular Weight344.37 g/mol
Exact Mass344.17
IUPAC Nameethyl 2-[[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCN(C(=O)NCC(=O)OCC)CC1
InChIInChI=1S/C14H24N4O6/c1-3-23-11(19)9-15-13(21)17-5-7-18(8-6-17)14(22)16-10-12(20)24-4-2/h3-10H2,1-2H3,(H,15,21)(H,16,22)
InChIKeyUZDOIQLHWQMVKY-UHFFFAOYSA-N
XLogP-0.85
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-{[(2-ethoxy-2-oxoethyl)carbamoyl]amino}acetate
CID 251730
Ethyl 2-[4-(pentylcarbamoyl)piperazin-1-yl]acetate
CID 3874451
Methyl 2-[4-(dimethylcarbamoyl)piperazin-1-yl]acetate
CID 45804236
Ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate
CID 15129117
Ethyl 2-[methyl(morpholine-4-carbonyl)amino]acetate
CID 10014074
Methyl 2-[[2-[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]piperazin-1-yl]acetyl]amino]acetate
CID 100928751
Ethyl 2-[[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]amino]acetate
CID 60706516
2-[4-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoyl]piperazin-1-yl]acetic acid
CID 63834600
2-[2-Morpholin-4-ylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263444
2-[4-[2-(2,2-Difluoroethoxy)ethylcarbamoyl]piperazin-1-yl]acetic acid
CID 105918896
Ethyl N-[4-(2-ethoxy-2-oxoethyl)piperazine-1-carbonyl]glycinate
CID 235804
4-Morpholineacetamide,n-[(ethylamino)carbonyl]-
CID 284932

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazine-1-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazine-1-carbonyl]amino]acetate (CID 44533096) is ethyl 2-[[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazine-1-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazine-1-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazine-1-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CCN(C(=O)NCC(=O)OCC)CC1.
What is the InChIKey of ethyl 2-[[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazine-1-carbonyl]amino]acetate?
The InChIKey is UZDOIQLHWQMVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O6/c1-3-23-11(19)9-15-13(21)17-5-7-18(8-6-17)14(22)16-10-12(20)24-4-2/h3-10H2,1-2H3,(H,15,21)(H,16,22).
What are the key properties of ethyl 2-[[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazine-1-carbonyl]amino]acetate?
ethyl 2-[[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazine-1-carbonyl]amino]acetate has a molecular weight of 344.37 g/mol, XLogP of -0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazine-1-carbonyl]amino]acetate is sourced from PubChem (CID 44533096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).