1-(3-hydroxypiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one

C11H22N2O2 — CID 60852155

IUPAC1-(3-hydroxypiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one
SMILESCC(C)NCCC(=O)N1CCCC(O)C1
InChIInChI=1S/C11H22N2O2/c1-9(2)12-6-5-11(15)13-7-3-4-10(14)8-13/h9-10,12,14H,3-8H2,1-2H3
InChIKeyJSHARLITYPUWJR-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.36
Rot. Bonds4

About 1-(3-hydroxypiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one

1-(3-hydroxypiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one (PubChem CID 60852155) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(3-hydroxypiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one.

Molecular Properties

Compound Name1-(3-hydroxypiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one
PubChem CID60852155
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-(3-hydroxypiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one
SMILESCC(C)NCCC(=O)N1CCCC(O)C1
InChIInChI=1S/C11H22N2O2/c1-9(2)12-6-5-11(15)13-7-3-4-10(14)8-13/h9-10,12,14H,3-8H2,1-2H3
InChIKeyJSHARLITYPUWJR-UHFFFAOYSA-N
XLogP0.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-hydroxypiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-hydroxypiperidin-1-yl)-2-(propan-2-ylamino)ethanone
CID 60841645
N-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]acetamide
CID 107224919
2-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]acetic acid
CID 62691166
3-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]butanoic acid
CID 81046204
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 112625056
5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4-methylpentan-1-one
CID 107222947
1-(4-methylsulfanylazepan-1-yl)-3-(propan-2-ylamino)propan-1-one
CID 114237053
1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107224759
1-[(3S)-3-hydroxypiperidin-1-yl]-2-(propylamino)ethanone
CID 107222864
(3R)-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid
CID 81119937
1-(2-ethyl-1,4-oxazepan-4-yl)-3-(propan-2-ylamino)propan-1-one
CID 114218404
1-(4,4-dimethylpiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one
CID 62930053

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one?
The IUPAC name of 1-(3-hydroxypiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one (CID 60852155) is 1-(3-hydroxypiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one.
What is the SMILES notation for 1-(3-hydroxypiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one?
The canonical SMILES for 1-(3-hydroxypiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one is CC(C)NCCC(=O)N1CCCC(O)C1.
What is the InChIKey of 1-(3-hydroxypiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one?
The InChIKey is JSHARLITYPUWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)12-6-5-11(15)13-7-3-4-10(14)8-13/h9-10,12,14H,3-8H2,1-2H3.
What are the key properties of 1-(3-hydroxypiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one?
1-(3-hydroxypiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one is sourced from PubChem (CID 60852155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).