2-[2-(4-oxopiperidin-1-yl)ethyl]hexanoic acid

C13H23NO3 — CID 142749227

IUPAC2-[2-(4-oxopiperidin-1-yl)ethyl]hexanoic acid
SMILESCCCCC(CCN1CCC(=O)CC1)C(=O)O
InChIInChI=1S/C13H23NO3/c1-2-3-4-11(13(16)17)5-8-14-9-6-12(15)7-10-14/h11H,2-10H2,1H3,(H,16,17)
InChIKeyGFDDXJWPTVSYHR-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.93
Rot. Bonds7

About 2-[2-(4-oxopiperidin-1-yl)ethyl]hexanoic acid

2-[2-(4-oxopiperidin-1-yl)ethyl]hexanoic acid (PubChem CID 142749227) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[2-(4-oxopiperidin-1-yl)ethyl]hexanoic acid.

Molecular Properties

Compound Name2-[2-(4-oxopiperidin-1-yl)ethyl]hexanoic acid
PubChem CID142749227
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-[2-(4-oxopiperidin-1-yl)ethyl]hexanoic acid
SMILESCCCCC(CCN1CCC(=O)CC1)C(=O)O
InChIInChI=1S/C13H23NO3/c1-2-3-4-11(13(16)17)5-8-14-9-6-12(15)7-10-14/h11H,2-10H2,1H3,(H,16,17)
InChIKeyGFDDXJWPTVSYHR-UHFFFAOYSA-N
XLogP1.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-piperazin-1-ylethyl)hexanoic acid
CID 142749407
2-[2-(4-phenylpiperazin-1-yl)ethyl]hexanoic acid;dihydrochloride
CID 142749388
1-pentadecylpiperidin-4-one
CID 10267366
butane;1-butylpiperidin-4-one
CID 177152756
CID 87702087
CID 87702087
2-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]hexanoic acid;dihydrochloride
CID 142749440
azane;2,7-dibutyloctanedioic acid
CID 174821009
2-[(4-methylpiperazin-1-yl)methyl]hexanoic acid
CID 142749204
1-(4-butoxybutyl)piperidin-4-one
CID 70278532
2-(3,3-dihydroxypropyl)hexanoic acid
CID 175177467
λ2-stannane;2-propylhexanoic acid
CID 174232814
(2S)-2-butyldecanoic acid
CID 98176194

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-oxopiperidin-1-yl)ethyl]hexanoic acid?
The IUPAC name of 2-[2-(4-oxopiperidin-1-yl)ethyl]hexanoic acid (CID 142749227) is 2-[2-(4-oxopiperidin-1-yl)ethyl]hexanoic acid.
What is the SMILES notation for 2-[2-(4-oxopiperidin-1-yl)ethyl]hexanoic acid?
The canonical SMILES for 2-[2-(4-oxopiperidin-1-yl)ethyl]hexanoic acid is CCCCC(CCN1CCC(=O)CC1)C(=O)O.
What is the InChIKey of 2-[2-(4-oxopiperidin-1-yl)ethyl]hexanoic acid?
The InChIKey is GFDDXJWPTVSYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-3-4-11(13(16)17)5-8-14-9-6-12(15)7-10-14/h11H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-[2-(4-oxopiperidin-1-yl)ethyl]hexanoic acid?
2-[2-(4-oxopiperidin-1-yl)ethyl]hexanoic acid has a molecular weight of 241.33 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-oxopiperidin-1-yl)ethyl]hexanoic acid is sourced from PubChem (CID 142749227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).