ethyl 4-(1-methoxy-1-oxopropan-2-yl)piperazine-1-carboxylate

C11H20N2O4 — CID 3788456

IUPACethyl 4-(1-methoxy-1-oxopropan-2-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(C)C(=O)OC)CC1
InChIInChI=1S/C11H20N2O4/c1-4-17-11(15)13-7-5-12(6-8-13)9(2)10(14)16-3/h9H,4-8H2,1-3H3
InChIKeyPVUDANRPEOZIGV-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.32
Rot. Bonds3

About ethyl 4-(1-methoxy-1-oxopropan-2-yl)piperazine-1-carboxylate

ethyl 4-(1-methoxy-1-oxopropan-2-yl)piperazine-1-carboxylate (PubChem CID 3788456) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 4-(1-methoxy-1-oxopropan-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1-methoxy-1-oxopropan-2-yl)piperazine-1-carboxylate
PubChem CID3788456
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Nameethyl 4-(1-methoxy-1-oxopropan-2-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(C)C(=O)OC)CC1
InChIInChI=1S/C11H20N2O4/c1-4-17-11(15)13-7-5-12(6-8-13)9(2)10(14)16-3/h9H,4-8H2,1-3H3
InChIKeyPVUDANRPEOZIGV-UHFFFAOYSA-N
XLogP0.32
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(2R)-1-methoxy-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 40525482
(2R)-2-(4-ethoxycarbonylpiperazin-1-yl)propanoic acid
CID 94396893
ethyl 1-(1-methoxy-1-oxopropan-2-yl)piperidine-4-carboxylate
CID 47016252
methyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]propanoate
CID 60965667
2-(4-methoxycarbonylpiperazin-1-yl)propanoic acid
CID 62309651
ethyl 4-[2-(methylamino)propanoyl]piperazine-1-carboxylate
CID 60718933
methyl 2-(4,4-diethylpiperidin-1-yl)propanoate
CID 63158633
methyl (2R)-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]propanoate
CID 94526452
ethyl 4-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperazine-1-carboxylate
CID 9431131
ethyl 4-[1-(4-tert-butylanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 55351259
ethyl 4-[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperazine-1-carboxylate
CID 9431113
ethyl 4-[2-(methylamino)acetyl]piperazine-1-carboxylate
CID 54773405

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-methoxy-1-oxopropan-2-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(1-methoxy-1-oxopropan-2-yl)piperazine-1-carboxylate (CID 3788456) is ethyl 4-(1-methoxy-1-oxopropan-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(1-methoxy-1-oxopropan-2-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(1-methoxy-1-oxopropan-2-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(C)C(=O)OC)CC1.
What is the InChIKey of ethyl 4-(1-methoxy-1-oxopropan-2-yl)piperazine-1-carboxylate?
The InChIKey is PVUDANRPEOZIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-4-17-11(15)13-7-5-12(6-8-13)9(2)10(14)16-3/h9H,4-8H2,1-3H3.
What are the key properties of ethyl 4-(1-methoxy-1-oxopropan-2-yl)piperazine-1-carboxylate?
ethyl 4-(1-methoxy-1-oxopropan-2-yl)piperazine-1-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-methoxy-1-oxopropan-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 3788456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).