6-[(1-acetylpiperidin-4-yl)amino]-6-oxohexanoic acid

C13H22N2O4 — CID 54868296

IUPAC6-[(1-acetylpiperidin-4-yl)amino]-6-oxohexanoic acid
SMILESCC(=O)N1CCC(NC(=O)CCCCC(=O)O)CC1
InChIInChI=1S/C13H22N2O4/c1-10(16)15-8-6-11(7-9-15)14-12(17)4-2-3-5-13(18)19/h11H,2-9H2,1H3,(H,14,17)(H,18,19)
InChIKeyZBQNZGNBFNLZSL-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.76
Rot. Bonds6

About 6-[(1-acetylpiperidin-4-yl)amino]-6-oxohexanoic acid

6-[(1-acetylpiperidin-4-yl)amino]-6-oxohexanoic acid (PubChem CID 54868296) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-[(1-acetylpiperidin-4-yl)amino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[(1-acetylpiperidin-4-yl)amino]-6-oxohexanoic acid
PubChem CID54868296
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name6-[(1-acetylpiperidin-4-yl)amino]-6-oxohexanoic acid
SMILESCC(=O)N1CCC(NC(=O)CCCCC(=O)O)CC1
InChIInChI=1S/C13H22N2O4/c1-10(16)15-8-6-11(7-9-15)14-12(17)4-2-3-5-13(18)19/h11H,2-9H2,1H3,(H,14,17)(H,18,19)
InChIKeyZBQNZGNBFNLZSL-UHFFFAOYSA-N
XLogP0.76
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(1-acetylpiperidin-4-yl)amino]-5-oxopentanoic acid
CID 54868295
12-[(1-acetylpiperidin-4-yl)carbamoylamino]dodecanoic acid
CID 148925401
N-(1-acetylpyrrolidin-3-yl)pentanamide
CID 110871326
5-(4-acetamidopiperidin-1-yl)-5-oxopentanoic acid
CID 113402147
5-[(1-ethylsulfonylpiperidin-4-yl)amino]-5-oxopentanoic acid
CID 60942022
5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid
CID 61462313
6-[(4-hydroxycyclohexyl)amino]-6-oxohexanoic acid
CID 54867773
N-(1-acetylpiperidin-4-yl)-5-amino-4-methylpentanamide
CID 82012223
2-[(1-acetylpiperidin-4-yl)amino]-N-cyclopropylacetamide
CID 43231891
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928
N,N'-dicyclopropyldecanediamide
CID 4668836
6-[(4-methylsulfanylcyclohexyl)amino]-6-oxohexanoic acid
CID 114122613

Frequently Asked Questions

What is the IUPAC name of 6-[(1-acetylpiperidin-4-yl)amino]-6-oxohexanoic acid?
The IUPAC name of 6-[(1-acetylpiperidin-4-yl)amino]-6-oxohexanoic acid (CID 54868296) is 6-[(1-acetylpiperidin-4-yl)amino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[(1-acetylpiperidin-4-yl)amino]-6-oxohexanoic acid?
The canonical SMILES for 6-[(1-acetylpiperidin-4-yl)amino]-6-oxohexanoic acid is CC(=O)N1CCC(NC(=O)CCCCC(=O)O)CC1.
What is the InChIKey of 6-[(1-acetylpiperidin-4-yl)amino]-6-oxohexanoic acid?
The InChIKey is ZBQNZGNBFNLZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-10(16)15-8-6-11(7-9-15)14-12(17)4-2-3-5-13(18)19/h11H,2-9H2,1H3,(H,14,17)(H,18,19).
What are the key properties of 6-[(1-acetylpiperidin-4-yl)amino]-6-oxohexanoic acid?
6-[(1-acetylpiperidin-4-yl)amino]-6-oxohexanoic acid has a molecular weight of 270.33 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-acetylpiperidin-4-yl)amino]-6-oxohexanoic acid is sourced from PubChem (CID 54868296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).