ethyl 4-oxo-4-[4-(4-oxopentanoyl)piperazin-1-yl]butanoate

C15H24N2O5 — CID 108570118

IUPACethyl 4-oxo-4-[4-(4-oxopentanoyl)piperazin-1-yl]butanoate
SMILESCCOC(=O)CCC(=O)N1CCN(C(=O)CCC(C)=O)CC1
InChIInChI=1S/C15H24N2O5/c1-3-22-15(21)7-6-14(20)17-10-8-16(9-11-17)13(19)5-4-12(2)18/h3-11H2,1-2H3
InChIKeyQQJPAFDNFYYBFE-UHFFFAOYSA-N
MW312.37 g/mol
LogP0.37
Rot. Bonds7

About ethyl 4-oxo-4-[4-(4-oxopentanoyl)piperazin-1-yl]butanoate

ethyl 4-oxo-4-[4-(4-oxopentanoyl)piperazin-1-yl]butanoate (PubChem CID 108570118) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl 4-oxo-4-[4-(4-oxopentanoyl)piperazin-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 4-oxo-4-[4-(4-oxopentanoyl)piperazin-1-yl]butanoate
PubChem CID108570118
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Nameethyl 4-oxo-4-[4-(4-oxopentanoyl)piperazin-1-yl]butanoate
SMILESCCOC(=O)CCC(=O)N1CCN(C(=O)CCC(C)=O)CC1
InChIInChI=1S/C15H24N2O5/c1-3-22-15(21)7-6-14(20)17-10-8-16(9-11-17)13(19)5-4-12(2)18/h3-11H2,1-2H3
InChIKeyQQJPAFDNFYYBFE-UHFFFAOYSA-N
XLogP0.37
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

acetic acid;ethyl 4-oxopentanoate
CID 173361245
ethyl 4-(4-ethoxypiperidin-1-yl)-4-oxobutanoate
CID 61150674
ethyl 4-(4-ethyl-4-methylpiperidin-1-yl)-4-oxobutanoate
CID 62614238
ethyl 4-oxo-4-(4-phenylpiperazin-1-yl)butanoate
CID 60636216
ethyl 4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutanoate
CID 106668262
2-[1-(4-ethoxy-4-oxobutanoyl)piperidin-4-yl]acetic acid
CID 79615731
ethyl 4-oxo-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]butanoate
CID 115583830
ethyl 4-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-4-oxobutanoate
CID 108567802
1,1-diethoxyethane;ethyl 4-oxopentanoate
CID 139559403
ethyl 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoate
CID 58136060
ethyl 4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoate
CID 108569593
ethyl 4-[4-(2-ethoxyethoxy)piperidin-1-yl]-4-oxobutanoate
CID 60776132

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-4-[4-(4-oxopentanoyl)piperazin-1-yl]butanoate?
The IUPAC name of ethyl 4-oxo-4-[4-(4-oxopentanoyl)piperazin-1-yl]butanoate (CID 108570118) is ethyl 4-oxo-4-[4-(4-oxopentanoyl)piperazin-1-yl]butanoate.
What is the SMILES notation for ethyl 4-oxo-4-[4-(4-oxopentanoyl)piperazin-1-yl]butanoate?
The canonical SMILES for ethyl 4-oxo-4-[4-(4-oxopentanoyl)piperazin-1-yl]butanoate is CCOC(=O)CCC(=O)N1CCN(C(=O)CCC(C)=O)CC1.
What is the InChIKey of ethyl 4-oxo-4-[4-(4-oxopentanoyl)piperazin-1-yl]butanoate?
The InChIKey is QQJPAFDNFYYBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5/c1-3-22-15(21)7-6-14(20)17-10-8-16(9-11-17)13(19)5-4-12(2)18/h3-11H2,1-2H3.
What are the key properties of ethyl 4-oxo-4-[4-(4-oxopentanoyl)piperazin-1-yl]butanoate?
ethyl 4-oxo-4-[4-(4-oxopentanoyl)piperazin-1-yl]butanoate has a molecular weight of 312.37 g/mol, XLogP of 0.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-4-[4-(4-oxopentanoyl)piperazin-1-yl]butanoate is sourced from PubChem (CID 108570118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).