ethyl 4-[3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanoyl]piperazine-1-carboxylate

C14H23N3O5 — CID 110685384

IUPACethyl 4-[3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCC2CN(C)C(=O)O2)CC1
InChIInChI=1S/C14H23N3O5/c1-3-21-14(20)17-8-6-16(7-9-17)12(18)5-4-11-10-15(2)13(19)22-11/h11H,3-10H2,1-2H3
InChIKeyUDZCVQSFVQJPHA-UHFFFAOYSA-N
MW313.35 g/mol
LogP0.52
Rot. Bonds4

About ethyl 4-[3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanoyl]piperazine-1-carboxylate

ethyl 4-[3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanoyl]piperazine-1-carboxylate (PubChem CID 110685384) has the molecular formula C14H23N3O5 and a molecular weight of 313.35 g/mol. Its IUPAC name is ethyl 4-[3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanoyl]piperazine-1-carboxylate
PubChem CID110685384
Molecular FormulaC14H23N3O5
Molecular Weight313.35 g/mol
Exact Mass313.16
IUPAC Nameethyl 4-[3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCC2CN(C)C(=O)O2)CC1
InChIInChI=1S/C14H23N3O5/c1-3-21-14(20)17-8-6-16(7-9-17)12(18)5-4-11-10-15(2)13(19)22-11/h11H,3-10H2,1-2H3
InChIKeyUDZCVQSFVQJPHA-UHFFFAOYSA-N
XLogP0.52
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methyl-1,3-oxazolidin-2-one
CID 110685337
N-(2-ethoxyphenyl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide
CID 110685451
ethyl 4-(3-pyrrol-1-ylpropanoyl)piperazine-1-carboxylate
CID 46343129
ethyl 4-[3-(2-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 110756038
5-(aminomethyl)-3-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 71758299
ethyl 4-aminopiperazine-1-carboxylate;dihydrochloride
CID 133054505
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
ethyl 4-[3-[(5E)-5-[3-[3-(4-ethoxycarbonylpiperazin-1-yl)-3-oxopropyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]piperazine-1-carboxylate
CID 6201312
ethyl 4-[3-(4-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 41455579
3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanenitrile
CID 91620718
ethyl 4-[3-(1,3-oxazol-4-yl)propanoyl]piperazine-1-carboxylate
CID 110679013
ethyl 4-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperazine-1-carboxylate
CID 6620519

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanoyl]piperazine-1-carboxylate (CID 110685384) is ethyl 4-[3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CCC2CN(C)C(=O)O2)CC1.
What is the InChIKey of ethyl 4-[3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanoyl]piperazine-1-carboxylate?
The InChIKey is UDZCVQSFVQJPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O5/c1-3-21-14(20)17-8-6-16(7-9-17)12(18)5-4-11-10-15(2)13(19)22-11/h11H,3-10H2,1-2H3.
What are the key properties of ethyl 4-[3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanoyl]piperazine-1-carboxylate?
ethyl 4-[3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanoyl]piperazine-1-carboxylate has a molecular weight of 313.35 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 110685384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).