ethyl 3-[4-(3-methoxy-3-oxopropyl)piperazin-1-yl]butanoate

C14H26N2O4 — CID 115537131

IUPACethyl 3-[4-(3-methoxy-3-oxopropyl)piperazin-1-yl]butanoate
SMILESCCOC(=O)CC(C)N1CCN(CCC(=O)OC)CC1
InChIInChI=1S/C14H26N2O4/c1-4-20-14(18)11-12(2)16-9-7-15(8-10-16)6-5-13(17)19-3/h12H,4-11H2,1-3H3
InChIKeyRXKOCASEABHFMQ-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.51
Rot. Bonds7

About ethyl 3-[4-(3-methoxy-3-oxopropyl)piperazin-1-yl]butanoate

ethyl 3-[4-(3-methoxy-3-oxopropyl)piperazin-1-yl]butanoate (PubChem CID 115537131) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is ethyl 3-[4-(3-methoxy-3-oxopropyl)piperazin-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 3-[4-(3-methoxy-3-oxopropyl)piperazin-1-yl]butanoate
PubChem CID115537131
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nameethyl 3-[4-(3-methoxy-3-oxopropyl)piperazin-1-yl]butanoate
SMILESCCOC(=O)CC(C)N1CCN(CCC(=O)OC)CC1
InChIInChI=1S/C14H26N2O4/c1-4-20-14(18)11-12(2)16-9-7-15(8-10-16)6-5-13(17)19-3/h12H,4-11H2,1-3H3
InChIKeyRXKOCASEABHFMQ-UHFFFAOYSA-N
XLogP0.51
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanoate
CID 55128136
methyl 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoate
CID 78984019
methyl 3-[4-(2,2-diethoxyethyl)piperazin-1-yl]propanoate
CID 115537138
ethyl 3-(4-methylsulfonylpiperazin-1-yl)butanoate
CID 62993635
propan-2-yl 4-(3-methoxy-3-oxopropyl)piperazine-1-carboxylate
CID 115536096
ethyl 3-[3-(3-ethoxy-3-oxopropyl)imidazolidin-1-yl]propanoate
CID 139659008
methyl (3R)-3-pyrrolidin-1-ylbutanoate
CID 93106309
ethyl 3-(4-hydroxypiperidin-1-yl)butanoate
CID 56994099
ethyl 3-[4-(cyclopropylmethylamino)piperidin-1-yl]butanoate
CID 115307352
methyl (3S)-3-piperidin-1-ylbutanoate
CID 93106362
methyl 3-[4-(ethoxycarbonylsulfamoyl)piperazin-1-yl]propanoate
CID 114465560
3-(4-butan-2-ylpiperazin-1-yl)propanamide
CID 62772700

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(3-methoxy-3-oxopropyl)piperazin-1-yl]butanoate?
The IUPAC name of ethyl 3-[4-(3-methoxy-3-oxopropyl)piperazin-1-yl]butanoate (CID 115537131) is ethyl 3-[4-(3-methoxy-3-oxopropyl)piperazin-1-yl]butanoate.
What is the SMILES notation for ethyl 3-[4-(3-methoxy-3-oxopropyl)piperazin-1-yl]butanoate?
The canonical SMILES for ethyl 3-[4-(3-methoxy-3-oxopropyl)piperazin-1-yl]butanoate is CCOC(=O)CC(C)N1CCN(CCC(=O)OC)CC1.
What is the InChIKey of ethyl 3-[4-(3-methoxy-3-oxopropyl)piperazin-1-yl]butanoate?
The InChIKey is RXKOCASEABHFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-4-20-14(18)11-12(2)16-9-7-15(8-10-16)6-5-13(17)19-3/h12H,4-11H2,1-3H3.
What are the key properties of ethyl 3-[4-(3-methoxy-3-oxopropyl)piperazin-1-yl]butanoate?
ethyl 3-[4-(3-methoxy-3-oxopropyl)piperazin-1-yl]butanoate has a molecular weight of 286.37 g/mol, XLogP of 0.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(3-methoxy-3-oxopropyl)piperazin-1-yl]butanoate is sourced from PubChem (CID 115537131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).