1-(2-hydroxy-3-methylbutyl)-3-(propan-2-ylamino)piperidin-2-one

C13H26N2O2 — CID 113493057

IUPAC1-(2-hydroxy-3-methylbutyl)-3-(propan-2-ylamino)piperidin-2-one
SMILESCC(C)NC1CCCN(CC(O)C(C)C)C1=O
InChIInChI=1S/C13H26N2O2/c1-9(2)12(16)8-15-7-5-6-11(13(15)17)14-10(3)4/h9-12,14,16H,5-8H2,1-4H3
InChIKeyHUQSTRFRIYGPOT-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.99
Rot. Bonds5

About 1-(2-hydroxy-3-methylbutyl)-3-(propan-2-ylamino)piperidin-2-one

1-(2-hydroxy-3-methylbutyl)-3-(propan-2-ylamino)piperidin-2-one (PubChem CID 113493057) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methylbutyl)-3-(propan-2-ylamino)piperidin-2-one.

Molecular Properties

Compound Name1-(2-hydroxy-3-methylbutyl)-3-(propan-2-ylamino)piperidin-2-one
PubChem CID113493057
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-(2-hydroxy-3-methylbutyl)-3-(propan-2-ylamino)piperidin-2-one
SMILESCC(C)NC1CCCN(CC(O)C(C)C)C1=O
InChIInChI=1S/C13H26N2O2/c1-9(2)12(16)8-15-7-5-6-11(13(15)17)14-10(3)4/h9-12,14,16H,5-8H2,1-4H3
InChIKeyHUQSTRFRIYGPOT-UHFFFAOYSA-N
XLogP0.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one
CID 22983832
2-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]ethylurea
CID 83114839
1-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(propan-2-ylamino)piperidin-2-one
CID 114171183
1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)piperidin-2-one
CID 65118942
1-(1-hydroxy-4-methylpentan-3-yl)-3-(propan-2-ylamino)piperidin-2-one
CID 114178303
1-[(3-methoxyoxolan-3-yl)methyl]-3-(propan-2-ylamino)piperidin-2-one
CID 104766153
1-[2-(2-methylphenyl)ethyl]-3-(propan-2-ylamino)piperidin-2-one
CID 79754766
3-(ethylamino)-1-(4-hydroxy-2-methylbutyl)piperidin-2-one
CID 66108454
1-(2,2-difluoroethyl)-3-(propylamino)piperidin-2-one
CID 115408790
3-(cyclopropylamino)-1-(2-hydroxy-4,4-dimethylpentyl)piperidin-2-one
CID 107159445
1-(1-methoxy-3-methylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one
CID 65053200
1-(4-hydroxypentyl)-3-(methylamino)piperidin-2-one
CID 106137678

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methylbutyl)-3-(propan-2-ylamino)piperidin-2-one?
The IUPAC name of 1-(2-hydroxy-3-methylbutyl)-3-(propan-2-ylamino)piperidin-2-one (CID 113493057) is 1-(2-hydroxy-3-methylbutyl)-3-(propan-2-ylamino)piperidin-2-one.
What is the SMILES notation for 1-(2-hydroxy-3-methylbutyl)-3-(propan-2-ylamino)piperidin-2-one?
The canonical SMILES for 1-(2-hydroxy-3-methylbutyl)-3-(propan-2-ylamino)piperidin-2-one is CC(C)NC1CCCN(CC(O)C(C)C)C1=O.
What is the InChIKey of 1-(2-hydroxy-3-methylbutyl)-3-(propan-2-ylamino)piperidin-2-one?
The InChIKey is HUQSTRFRIYGPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-9(2)12(16)8-15-7-5-6-11(13(15)17)14-10(3)4/h9-12,14,16H,5-8H2,1-4H3.
What are the key properties of 1-(2-hydroxy-3-methylbutyl)-3-(propan-2-ylamino)piperidin-2-one?
1-(2-hydroxy-3-methylbutyl)-3-(propan-2-ylamino)piperidin-2-one has a molecular weight of 242.36 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methylbutyl)-3-(propan-2-ylamino)piperidin-2-one is sourced from PubChem (CID 113493057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).