4-[4-(ethoxymethyl)piperidin-1-yl]-4-oxobutanoic acid

C12H21NO4 — CID 121201395

IUPAC4-[4-(ethoxymethyl)piperidin-1-yl]-4-oxobutanoic acid
SMILESCCOCC1CCN(C(=O)CCC(=O)O)CC1
InChIInChI=1S/C12H21NO4/c1-2-17-9-10-5-7-13(8-6-10)11(14)3-4-12(15)16/h10H,2-9H2,1H3,(H,15,16)
InChIKeySJIUYIKJOSYUPW-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.13
Rot. Bonds6

About 4-[4-(ethoxymethyl)piperidin-1-yl]-4-oxobutanoic acid

4-[4-(ethoxymethyl)piperidin-1-yl]-4-oxobutanoic acid (PubChem CID 121201395) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 4-[4-(ethoxymethyl)piperidin-1-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[4-(ethoxymethyl)piperidin-1-yl]-4-oxobutanoic acid
PubChem CID121201395
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name4-[4-(ethoxymethyl)piperidin-1-yl]-4-oxobutanoic acid
SMILESCCOCC1CCN(C(=O)CCC(=O)O)CC1
InChIInChI=1S/C12H21NO4/c1-2-17-9-10-5-7-13(8-6-10)11(14)3-4-12(15)16/h10H,2-9H2,1H3,(H,15,16)
InChIKeySJIUYIKJOSYUPW-UHFFFAOYSA-N
XLogP1.13
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone
CID 121201391
1-[4-(ethoxymethyl)piperidin-1-yl]ethanone
CID 148686570
4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 129370989
1-[4-[4-(ethoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 131909918
2-[1-(4-ethoxy-4-oxobutanoyl)piperidin-4-yl]acetic acid
CID 79615731
(3R)-3-amino-3-cyclopropyl-1-[4-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 99854008
4-[(2S)-2-(ethoxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 129323090
4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 54876368
4-(4-formylpiperidin-1-yl)-4-oxobutanoic acid
CID 87582095
3-(ethoxymethyl)pyrrolidine-1-carbonyl chloride
CID 165496688
2-ethoxy-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60958052
4-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 129393375

Frequently Asked Questions

What is the IUPAC name of 4-[4-(ethoxymethyl)piperidin-1-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[4-(ethoxymethyl)piperidin-1-yl]-4-oxobutanoic acid (CID 121201395) is 4-[4-(ethoxymethyl)piperidin-1-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[4-(ethoxymethyl)piperidin-1-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[4-(ethoxymethyl)piperidin-1-yl]-4-oxobutanoic acid is CCOCC1CCN(C(=O)CCC(=O)O)CC1.
What is the InChIKey of 4-[4-(ethoxymethyl)piperidin-1-yl]-4-oxobutanoic acid?
The InChIKey is SJIUYIKJOSYUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-2-17-9-10-5-7-13(8-6-10)11(14)3-4-12(15)16/h10H,2-9H2,1H3,(H,15,16).
What are the key properties of 4-[4-(ethoxymethyl)piperidin-1-yl]-4-oxobutanoic acid?
4-[4-(ethoxymethyl)piperidin-1-yl]-4-oxobutanoic acid has a molecular weight of 243.30 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(ethoxymethyl)piperidin-1-yl]-4-oxobutanoic acid is sourced from PubChem (CID 121201395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).