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

1-Piperazinepropanoic acid, beta-oxo-4-(2-pyrimidinyl)-, ethyl ester
CID 3074860
N,N-Diethyl-2-(4-pyrimidin-2-yl-piperazin-1-yl)-acetamide
CID 651792
2-(4-morpholinyl)-N-2-pyrimidinylacetamide
CID 787681
Oxalic acid;2-(4-pyrimidin-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 16189487
Ethyl 4-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]butanoate
CID 8196375
Ethyl 2-[(4-pyrimidin-2-ylpiperazinyl)carbonylamino]acetate
CID 17174442
2-ethoxy-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]butanamide
CID 53556600
1-Morpholin-4-yl-2-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 75369968
2-(Dimethylamino)-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 97450998
4-Methyl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118740971
N,N-dimethyl-2-(4-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl)acetamide
CID 118744485
2-Methyl-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]pyran-4-one
CID 162644594

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).