3-(1-octanoylpiperidin-2-yl)propanoic acid

C16H29NO3 — CID 62216598

IUPAC3-(1-octanoylpiperidin-2-yl)propanoic acid
SMILESCCCCCCCC(=O)N1CCCCC1CCC(=O)O
InChIInChI=1S/C16H29NO3/c1-2-3-4-5-6-10-15(18)17-13-8-7-9-14(17)11-12-16(19)20/h14H,2-13H2,1H3,(H,19,20)
InChIKeyBZGCKQVCBPBHHS-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.59
Rot. Bonds9

About 3-(1-octanoylpiperidin-2-yl)propanoic acid

3-(1-octanoylpiperidin-2-yl)propanoic acid (PubChem CID 62216598) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 3-(1-octanoylpiperidin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-octanoylpiperidin-2-yl)propanoic acid
PubChem CID62216598
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name3-(1-octanoylpiperidin-2-yl)propanoic acid
SMILESCCCCCCCC(=O)N1CCCCC1CCC(=O)O
InChIInChI=1S/C16H29NO3/c1-2-3-4-5-6-10-15(18)17-13-8-7-9-14(17)11-12-16(19)20/h14H,2-13H2,1H3,(H,19,20)
InChIKeyBZGCKQVCBPBHHS-UHFFFAOYSA-N
XLogP3.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-oxo-6-(2-propylpiperidin-1-yl)hexanoic acid
CID 83052295
1-[2-(chloromethyl)piperidin-1-yl]octan-1-one
CID 63395144
1-[2-(methylaminomethyl)piperidin-1-yl]nonan-1-one
CID 65428283
1-[2-(aminomethyl)piperidin-1-yl]decan-1-one
CID 65428281
1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one
CID 129384436
6-(2-ethylpiperidin-1-yl)-6-oxohexanoic acid
CID 43447225
1-[2-(2-aminoethyl)pyrrolidin-1-yl]heptan-1-one
CID 90749675
3-[1-(2-ethoxyacetyl)piperidin-2-yl]propanoic acid
CID 62217281
1-[2-(2-hydroxypropyl)piperidin-1-yl]nonan-1-one
CID 79536446
1-[2-(methylsulfonylmethyl)piperidin-1-yl]octan-1-one
CID 126818714
1-(2-ethylpiperidin-1-yl)pentan-1-one
CID 3041221
1-[2-(3-chloropropyl)pyrrolidin-1-yl]hexan-1-one
CID 63395936

Frequently Asked Questions

What is the IUPAC name of 3-(1-octanoylpiperidin-2-yl)propanoic acid?
The IUPAC name of 3-(1-octanoylpiperidin-2-yl)propanoic acid (CID 62216598) is 3-(1-octanoylpiperidin-2-yl)propanoic acid.
What is the SMILES notation for 3-(1-octanoylpiperidin-2-yl)propanoic acid?
The canonical SMILES for 3-(1-octanoylpiperidin-2-yl)propanoic acid is CCCCCCCC(=O)N1CCCCC1CCC(=O)O.
What is the InChIKey of 3-(1-octanoylpiperidin-2-yl)propanoic acid?
The InChIKey is BZGCKQVCBPBHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-2-3-4-5-6-10-15(18)17-13-8-7-9-14(17)11-12-16(19)20/h14H,2-13H2,1H3,(H,19,20).
What are the key properties of 3-(1-octanoylpiperidin-2-yl)propanoic acid?
3-(1-octanoylpiperidin-2-yl)propanoic acid has a molecular weight of 283.41 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-octanoylpiperidin-2-yl)propanoic acid is sourced from PubChem (CID 62216598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).