3-[(2-ethyl-2-hydroxybutyl)amino]piperidin-2-one

C11H22N2O2 — CID 114493018

IUPAC3-[(2-ethyl-2-hydroxybutyl)amino]piperidin-2-one
SMILESCCC(O)(CC)CNC1CCCNC1=O
InChIInChI=1S/C11H22N2O2/c1-3-11(15,4-2)8-13-9-6-5-7-12-10(9)14/h9,13,15H,3-8H2,1-2H3,(H,12,14)
InChIKeyQELMSWHOHSAYEF-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.41
Rot. Bonds5

About 3-[(2-ethyl-2-hydroxybutyl)amino]piperidin-2-one

3-[(2-ethyl-2-hydroxybutyl)amino]piperidin-2-one (PubChem CID 114493018) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[(2-ethyl-2-hydroxybutyl)amino]piperidin-2-one.

Molecular Properties

Compound Name3-[(2-ethyl-2-hydroxybutyl)amino]piperidin-2-one
PubChem CID114493018
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-[(2-ethyl-2-hydroxybutyl)amino]piperidin-2-one
SMILESCCC(O)(CC)CNC1CCCNC1=O
InChIInChI=1S/C11H22N2O2/c1-3-11(15,4-2)8-13-9-6-5-7-12-10(9)14/h9,13,15H,3-8H2,1-2H3,(H,12,14)
InChIKeyQELMSWHOHSAYEF-UHFFFAOYSA-N
XLogP0.41
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-ethyl-2-hydroxybutyl)amino]azepan-2-one
CID 65111880
3-(pentylamino)piperidin-2-one
CID 62093756
3-(dodecylamino)piperidin-2-one
CID 63492267
3-(2-ethyl-2-hydroxybutyl)piperidin-2-one
CID 114497694
3-[(4-hydroxy-2,2-dimethylbutyl)amino]azepan-2-one
CID 106146876
3-(3,3,3-trifluoropropylamino)piperidin-2-one
CID 64554624
3-(2-methylprop-2-enylamino)piperidin-2-one
CID 62331735
methyl 2-[(2-oxopiperidin-3-yl)amino]acetate
CID 22906858
3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]azepan-2-one
CID 107865414
ethyl 3-hydroxy-4-[(2-oxopiperidin-3-yl)amino]butanoate
CID 103248566
3-(pentan-2-ylamino)piperidin-2-one
CID 62092466
3-(2-chloroprop-2-enylamino)piperidin-2-one
CID 62093427

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-2-hydroxybutyl)amino]piperidin-2-one?
The IUPAC name of 3-[(2-ethyl-2-hydroxybutyl)amino]piperidin-2-one (CID 114493018) is 3-[(2-ethyl-2-hydroxybutyl)amino]piperidin-2-one.
What is the SMILES notation for 3-[(2-ethyl-2-hydroxybutyl)amino]piperidin-2-one?
The canonical SMILES for 3-[(2-ethyl-2-hydroxybutyl)amino]piperidin-2-one is CCC(O)(CC)CNC1CCCNC1=O.
What is the InChIKey of 3-[(2-ethyl-2-hydroxybutyl)amino]piperidin-2-one?
The InChIKey is QELMSWHOHSAYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-11(15,4-2)8-13-9-6-5-7-12-10(9)14/h9,13,15H,3-8H2,1-2H3,(H,12,14).
What are the key properties of 3-[(2-ethyl-2-hydroxybutyl)amino]piperidin-2-one?
3-[(2-ethyl-2-hydroxybutyl)amino]piperidin-2-one has a molecular weight of 214.31 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-2-hydroxybutyl)amino]piperidin-2-one is sourced from PubChem (CID 114493018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).