2-[1-(4-ethoxy-4-oxobutanoyl)piperidin-4-yl]acetic acid

C13H21NO5 — CID 79615731

IUPAC2-[1-(4-ethoxy-4-oxobutanoyl)piperidin-4-yl]acetic acid
SMILESCCOC(=O)CCC(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C13H21NO5/c1-2-19-13(18)4-3-11(15)14-7-5-10(6-8-14)9-12(16)17/h10H,2-9H2,1H3,(H,16,17)
InChIKeyONXSNCNXEZEGIN-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.04
Rot. Bonds6

About 2-[1-(4-ethoxy-4-oxobutanoyl)piperidin-4-yl]acetic acid

2-[1-(4-ethoxy-4-oxobutanoyl)piperidin-4-yl]acetic acid (PubChem CID 79615731) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-[1-(4-ethoxy-4-oxobutanoyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-ethoxy-4-oxobutanoyl)piperidin-4-yl]acetic acid
PubChem CID79615731
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name2-[1-(4-ethoxy-4-oxobutanoyl)piperidin-4-yl]acetic acid
SMILESCCOC(=O)CCC(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C13H21NO5/c1-2-19-13(18)4-3-11(15)14-7-5-10(6-8-14)9-12(16)17/h10H,2-9H2,1H3,(H,16,17)
InChIKeyONXSNCNXEZEGIN-UHFFFAOYSA-N
XLogP1.04
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-ethoxy-4-oxobutanoyl)azetidin-3-yl]acetic acid
CID 64605378
2-[1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]piperidin-4-yl]acetic acid
CID 79606572
ethyl 4-(4-ethoxypiperidin-1-yl)-4-oxobutanoate
CID 61150674
2-[1-(3-methoxypropanoyl)piperidin-4-yl]acetic acid
CID 79615303
ethyl 4-oxo-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]butanoate
CID 52906692
ethyl 4-oxo-4-[4-(4-oxopentanoyl)piperazin-1-yl]butanoate
CID 108570118
2-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]acetic acid
CID 119178332
4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 54876368
4-[4-(ethoxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 121201395
2-[1-(2-ethoxy-2-oxoethyl)sulfonylpiperidin-4-yl]acetic acid
CID 79609171
ethyl 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoate
CID 58136060
2-[1-(2-propoxyacetyl)piperidin-4-yl]acetic acid
CID 103790225

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethoxy-4-oxobutanoyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(4-ethoxy-4-oxobutanoyl)piperidin-4-yl]acetic acid (CID 79615731) is 2-[1-(4-ethoxy-4-oxobutanoyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-ethoxy-4-oxobutanoyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(4-ethoxy-4-oxobutanoyl)piperidin-4-yl]acetic acid is CCOC(=O)CCC(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(4-ethoxy-4-oxobutanoyl)piperidin-4-yl]acetic acid?
The InChIKey is ONXSNCNXEZEGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-2-19-13(18)4-3-11(15)14-7-5-10(6-8-14)9-12(16)17/h10H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-[1-(4-ethoxy-4-oxobutanoyl)piperidin-4-yl]acetic acid?
2-[1-(4-ethoxy-4-oxobutanoyl)piperidin-4-yl]acetic acid has a molecular weight of 271.31 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethoxy-4-oxobutanoyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 79615731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).