2-[1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]piperidin-4-yl]oxyacetic acid

C12H21N3O5 — CID 63877488

IUPAC2-[1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]piperidin-4-yl]oxyacetic acid
SMILESCCNC(=O)CNC(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C12H21N3O5/c1-2-13-10(16)7-14-12(19)15-5-3-9(4-6-15)20-8-11(17)18/h9H,2-8H2,1H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyXGPAGSSSFBUIIH-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.60
Rot. Bonds6

About 2-[1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]piperidin-4-yl]oxyacetic acid

2-[1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]piperidin-4-yl]oxyacetic acid (PubChem CID 63877488) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]piperidin-4-yl]oxyacetic acid
PubChem CID63877488
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name2-[1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]piperidin-4-yl]oxyacetic acid
SMILESCCNC(=O)CNC(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C12H21N3O5/c1-2-13-10(16)7-14-12(19)15-5-3-9(4-6-15)20-8-11(17)18/h9H,2-8H2,1H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyXGPAGSSSFBUIIH-UHFFFAOYSA-N
XLogP-0.60
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(ethylamino)-2-oxoethyl]piperidin-4-yl]oxyacetic acid
CID 55252054
2-[1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63876279
2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63875053
2-[1-(tert-butylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63876431
2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-4-yl]oxyacetic acid
CID 63875769
2-[1-(pentan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63876957
2-[1-(3-methylbutan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63875575
2-[1-[(5-amino-5-oxopentyl)carbamoyl]piperidin-4-yl]oxyacetic acid
CID 106239137
2-[1-(pent-4-enylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 114264997
2-[1-[(1-methylpiperidin-3-yl)carbamoyl]piperidin-4-yl]oxyacetic acid
CID 63877492
2-[1-[(2-methylcyclopentyl)carbamoyl]piperidin-4-yl]oxyacetic acid
CID 63875597
2-(1-tert-butylpiperidin-4-yl)oxy-N-ethylacetamide
CID 156523065

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]piperidin-4-yl]oxyacetic acid (CID 63877488) is 2-[1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]piperidin-4-yl]oxyacetic acid is CCNC(=O)CNC(=O)N1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is XGPAGSSSFBUIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-2-13-10(16)7-14-12(19)15-5-3-9(4-6-15)20-8-11(17)18/h9H,2-8H2,1H3,(H,13,16)(H,14,19)(H,17,18).
What are the key properties of 2-[1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]piperidin-4-yl]oxyacetic acid?
2-[1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 287.32 g/mol, XLogP of -0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63877488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).