4-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-4-oxobutanoic acid

C12H20N2O5 — CID 54875415

IUPAC4-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-4-oxobutanoic acid
SMILESCOCC(=O)NC1CCN(C(=O)CCC(=O)O)CC1
InChIInChI=1S/C12H20N2O5/c1-19-8-10(15)13-9-4-6-14(7-5-9)11(16)2-3-12(17)18/h9H,2-8H2,1H3,(H,13,15)(H,17,18)
InChIKeyJNCNFZURHOEKOB-UHFFFAOYSA-N
MW272.30 g/mol
LogP-0.40
Rot. Bonds6

About 4-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-4-oxobutanoic acid

4-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-4-oxobutanoic acid (PubChem CID 54875415) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-4-oxobutanoic acid
PubChem CID54875415
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name4-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-4-oxobutanoic acid
SMILESCOCC(=O)NC1CCN(C(=O)CCC(=O)O)CC1
InChIInChI=1S/C12H20N2O5/c1-19-8-10(15)13-9-4-6-14(7-5-9)11(16)2-3-12(17)18/h9H,2-8H2,1H3,(H,13,15)(H,17,18)
InChIKeyJNCNFZURHOEKOB-UHFFFAOYSA-N
XLogP-0.40
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-aminobutanoyl)piperidin-4-yl]-2-methoxyacetamide
CID 54872286
N-[1-(2-bromoacetyl)piperidin-4-yl]-2-methoxyacetamide
CID 63680285
N-[1-(5-bromopentanoyl)piperidin-4-yl]-2-methoxyacetamide
CID 114014853
N-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]-2-methoxyacetamide
CID 64611592
5-(4-acetamidopiperidin-1-yl)-5-oxopentanoic acid
CID 113402147
2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
CID 63681407
N-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]-2-methoxyacetamide
CID 65466624
4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxobutanoic acid
CID 25250198
4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoic acid
CID 54875546
5-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-3-methyl-5-oxopentanoic acid
CID 62963865
N,N-diethyl-4-[(2-methoxyacetyl)amino]piperidine-1-carboxamide
CID 108562550
N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]-2-methoxyacetamide
CID 61265439

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-4-oxobutanoic acid (CID 54875415) is 4-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-4-oxobutanoic acid is COCC(=O)NC1CCN(C(=O)CCC(=O)O)CC1.
What is the InChIKey of 4-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-4-oxobutanoic acid?
The InChIKey is JNCNFZURHOEKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-19-8-10(15)13-9-4-6-14(7-5-9)11(16)2-3-12(17)18/h9H,2-8H2,1H3,(H,13,15)(H,17,18).
What are the key properties of 4-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-4-oxobutanoic acid?
4-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-4-oxobutanoic acid has a molecular weight of 272.30 g/mol, XLogP of -0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-4-oxobutanoic acid is sourced from PubChem (CID 54875415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).