6-(2-ethylpiperidin-1-yl)-6-oxohexanoic acid

C13H23NO3 — CID 43447225

IUPAC6-(2-ethylpiperidin-1-yl)-6-oxohexanoic acid
SMILESCCC1CCCCN1C(=O)CCCCC(=O)O
InChIInChI=1S/C13H23NO3/c1-2-11-7-5-6-10-14(11)12(15)8-3-4-9-13(16)17/h11H,2-10H2,1H3,(H,16,17)
InChIKeyGJBWSMMRSNQBMB-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.42
Rot. Bonds6

About 6-(2-ethylpiperidin-1-yl)-6-oxohexanoic acid

6-(2-ethylpiperidin-1-yl)-6-oxohexanoic acid (PubChem CID 43447225) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 6-(2-ethylpiperidin-1-yl)-6-oxohexanoic acid.

Molecular Properties

Compound Name6-(2-ethylpiperidin-1-yl)-6-oxohexanoic acid
PubChem CID43447225
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name6-(2-ethylpiperidin-1-yl)-6-oxohexanoic acid
SMILESCCC1CCCCN1C(=O)CCCCC(=O)O
InChIInChI=1S/C13H23NO3/c1-2-11-7-5-6-10-14(11)12(15)8-3-4-9-13(16)17/h11H,2-10H2,1H3,(H,16,17)
InChIKeyGJBWSMMRSNQBMB-UHFFFAOYSA-N
XLogP2.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.42
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-(2-ethylpyrrolidin-1-yl)-6-oxohexanoic acid
CID 60973387
4-(2-ethylazepan-1-yl)-4-oxobutanoic acid
CID 115910484
6-oxo-6-(2-propylpiperidin-1-yl)hexanoic acid
CID 83052295
1-(2-ethylpiperidin-1-yl)pentan-1-one
CID 3041221
6-amino-1-(2-ethylpiperidin-1-yl)hexan-1-one
CID 43266540
4-chloro-1-(2-ethylpiperidin-1-yl)butan-1-one
CID 3613562
3-(1-octanoylpiperidin-2-yl)propanoic acid
CID 62216598
6-[(2-ethylazepane-1-carbonyl)amino]-6-oxohexanoic acid
CID 104690464
2-[2-(2-ethylazepan-1-yl)-2-oxoethoxy]acetic acid
CID 104689142
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
5-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-5-oxopentanoic acid
CID 54916732
1-(2-ethylazepan-1-yl)-3-methoxypropan-1-one
CID 167776443

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylpiperidin-1-yl)-6-oxohexanoic acid?
The IUPAC name of 6-(2-ethylpiperidin-1-yl)-6-oxohexanoic acid (CID 43447225) is 6-(2-ethylpiperidin-1-yl)-6-oxohexanoic acid.
What is the SMILES notation for 6-(2-ethylpiperidin-1-yl)-6-oxohexanoic acid?
The canonical SMILES for 6-(2-ethylpiperidin-1-yl)-6-oxohexanoic acid is CCC1CCCCN1C(=O)CCCCC(=O)O.
What is the InChIKey of 6-(2-ethylpiperidin-1-yl)-6-oxohexanoic acid?
The InChIKey is GJBWSMMRSNQBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-11-7-5-6-10-14(11)12(15)8-3-4-9-13(16)17/h11H,2-10H2,1H3,(H,16,17).
What are the key properties of 6-(2-ethylpiperidin-1-yl)-6-oxohexanoic acid?
6-(2-ethylpiperidin-1-yl)-6-oxohexanoic acid has a molecular weight of 241.33 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylpiperidin-1-yl)-6-oxohexanoic acid is sourced from PubChem (CID 43447225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).