ethyl 4-[2-[2-[methyl(pyrimidin-2-yl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate

C16H23N5O5 — CID 43067977

IUPACethyl 4-[2-[2-[methyl(pyrimidin-2-yl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)COC(=O)CN(C)c2ncccn2)CC1
InChIInChI=1S/C16H23N5O5/c1-3-25-16(24)21-9-7-20(8-10-21)13(22)12-26-14(23)11-19(2)15-17-5-4-6-18-15/h4-6H,3,7-12H2,1-2H3
InChIKeyBVNPLMNNRMYCPX-UHFFFAOYSA-N
MW365.39 g/mol
LogP-0.24
Rot. Bonds6

About ethyl 4-[2-[2-[methyl(pyrimidin-2-yl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate

ethyl 4-[2-[2-[methyl(pyrimidin-2-yl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate (PubChem CID 43067977) has the molecular formula C16H23N5O5 and a molecular weight of 365.39 g/mol. Its IUPAC name is ethyl 4-[2-[2-[methyl(pyrimidin-2-yl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[2-[methyl(pyrimidin-2-yl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate
PubChem CID43067977
Molecular FormulaC16H23N5O5
Molecular Weight365.39 g/mol
Exact Mass365.17
IUPAC Nameethyl 4-[2-[2-[methyl(pyrimidin-2-yl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)COC(=O)CN(C)c2ncccn2)CC1
InChIInChI=1S/C16H23N5O5/c1-3-25-16(24)21-9-7-20(8-10-21)13(22)12-26-14(23)11-19(2)15-17-5-4-6-18-15/h4-6H,3,7-12H2,1-2H3
InChIKeyBVNPLMNNRMYCPX-UHFFFAOYSA-N
XLogP-0.24
TPSA105.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 30906273
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 43063520
[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 55640703
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602827
ethyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
CID 807888
[2-(2-methylpropylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 43063495
ethyl 2-[methyl-(4-methylpyrimidin-2-yl)amino]acetate
CID 62958932
ethyl 4-[2-(2-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 807890
ethyl 4-(3-pyridin-2-ylpropanoyl)piperazine-1-carboxylate
CID 110389199
[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 42956409
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602638
methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 60660073

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[2-[methyl(pyrimidin-2-yl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[2-[methyl(pyrimidin-2-yl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate (CID 43067977) is ethyl 4-[2-[2-[methyl(pyrimidin-2-yl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[2-[methyl(pyrimidin-2-yl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[2-[methyl(pyrimidin-2-yl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)COC(=O)CN(C)c2ncccn2)CC1.
What is the InChIKey of ethyl 4-[2-[2-[methyl(pyrimidin-2-yl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate?
The InChIKey is BVNPLMNNRMYCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O5/c1-3-25-16(24)21-9-7-20(8-10-21)13(22)12-26-14(23)11-19(2)15-17-5-4-6-18-15/h4-6H,3,7-12H2,1-2H3.
What are the key properties of ethyl 4-[2-[2-[methyl(pyrimidin-2-yl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate?
ethyl 4-[2-[2-[methyl(pyrimidin-2-yl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate has a molecular weight of 365.39 g/mol, XLogP of -0.24, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[2-[methyl(pyrimidin-2-yl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate is sourced from PubChem (CID 43067977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).