ethyl 4-oxo-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]butanoate

C14H24N2O4 — CID 115583830

IUPACethyl 4-oxo-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]butanoate
SMILESCCOC(=O)CCC(=O)NCCC(=O)N1CCCCC1
InChIInChI=1S/C14H24N2O4/c1-2-20-14(19)7-6-12(17)15-9-8-13(18)16-10-4-3-5-11-16/h2-11H2,1H3,(H,15,17)
InChIKeyIKFQQFZCBSEBKS-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.85
Rot. Bonds7

About ethyl 4-oxo-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]butanoate

ethyl 4-oxo-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]butanoate (PubChem CID 115583830) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is ethyl 4-oxo-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-oxo-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]butanoate
PubChem CID115583830
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Nameethyl 4-oxo-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]butanoate
SMILESCCOC(=O)CCC(=O)NCCC(=O)N1CCCCC1
InChIInChI=1S/C14H24N2O4/c1-2-20-14(19)7-6-12(17)15-9-8-13(18)16-10-4-3-5-11-16/h2-11H2,1H3,(H,15,17)
InChIKeyIKFQQFZCBSEBKS-UHFFFAOYSA-N
XLogP0.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 83620523
2-methoxy-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 115581606
4-amino-N-(3-oxo-3-piperidin-1-ylpropyl)butanamide
CID 70095936
ethyl 4-oxo-4-[[3-oxo-3-(propylamino)propyl]amino]butanoate
CID 61149555
ethyl 4-oxo-4-[4-(4-oxopentanoyl)piperazin-1-yl]butanoate
CID 108570118
methyl 4-oxo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]butanoate
CID 110712317
2-[(2-methylpropan-2-yl)oxy]-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 112626628
2-amino-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide
CID 115738343
ethyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-oxobutanoate
CID 61243779
N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 115583806
ethyl 4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate
CID 60671852
ethyl 4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxylate
CID 43768044

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]butanoate?
The IUPAC name of ethyl 4-oxo-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]butanoate (CID 115583830) is ethyl 4-oxo-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]butanoate.
What is the SMILES notation for ethyl 4-oxo-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]butanoate?
The canonical SMILES for ethyl 4-oxo-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]butanoate is CCOC(=O)CCC(=O)NCCC(=O)N1CCCCC1.
What is the InChIKey of ethyl 4-oxo-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]butanoate?
The InChIKey is IKFQQFZCBSEBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-2-20-14(19)7-6-12(17)15-9-8-13(18)16-10-4-3-5-11-16/h2-11H2,1H3,(H,15,17).
What are the key properties of ethyl 4-oxo-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]butanoate?
ethyl 4-oxo-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]butanoate has a molecular weight of 284.36 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]butanoate is sourced from PubChem (CID 115583830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).