2-(2,3-dihydroxypropylamino)-1-piperidin-1-ylpropan-1-one

C11H22N2O3 — CID 66178031

IUPAC2-(2,3-dihydroxypropylamino)-1-piperidin-1-ylpropan-1-one
SMILESCC(NCC(O)CO)C(=O)N1CCCCC1
InChIInChI=1S/C11H22N2O3/c1-9(12-7-10(15)8-14)11(16)13-5-3-2-4-6-13/h9-10,12,14-15H,2-8H2,1H3
InChIKeyKLLBDORSICBDQJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.67
Rot. Bonds5

About 2-(2,3-dihydroxypropylamino)-1-piperidin-1-ylpropan-1-one

2-(2,3-dihydroxypropylamino)-1-piperidin-1-ylpropan-1-one (PubChem CID 66178031) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropylamino)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(2,3-dihydroxypropylamino)-1-piperidin-1-ylpropan-1-one
PubChem CID66178031
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-(2,3-dihydroxypropylamino)-1-piperidin-1-ylpropan-1-one
SMILESCC(NCC(O)CO)C(=O)N1CCCCC1
InChIInChI=1S/C11H22N2O3/c1-9(12-7-10(15)8-14)11(16)13-5-3-2-4-6-13/h9-10,12,14-15H,2-8H2,1H3
InChIKeyKLLBDORSICBDQJ-UHFFFAOYSA-N
XLogP-0.67
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxypropylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43389372
2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 106990428
3,3,3-trifluoro-2-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]propanenitrile
CID 103367515
2-(5-hydroxypentylamino)-1-piperidin-1-ylpropan-1-one
CID 113408435
N-(2,3-dihydroxypropyl)piperidine-1-carboxamide
CID 79155189
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propan-2-ylacetamide
CID 43402044
1-(azepan-1-yl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]propan-1-one
CID 79248979
1-(azepan-1-yl)-2-(butylamino)propan-1-one
CID 43086925
1-(azepan-1-yl)-2-[(2,2-difluoro-3-hydroxypropyl)amino]propan-1-one
CID 106176934
N-[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]ethyl]acetamide
CID 43397981
2-(2,3-dihydroxypropylamino)-N-propan-2-ylpropanamide
CID 66169110
1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)propan-1-one
CID 43089165

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropylamino)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(2,3-dihydroxypropylamino)-1-piperidin-1-ylpropan-1-one (CID 66178031) is 2-(2,3-dihydroxypropylamino)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(2,3-dihydroxypropylamino)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(2,3-dihydroxypropylamino)-1-piperidin-1-ylpropan-1-one is CC(NCC(O)CO)C(=O)N1CCCCC1.
What is the InChIKey of 2-(2,3-dihydroxypropylamino)-1-piperidin-1-ylpropan-1-one?
The InChIKey is KLLBDORSICBDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-9(12-7-10(15)8-14)11(16)13-5-3-2-4-6-13/h9-10,12,14-15H,2-8H2,1H3.
What are the key properties of 2-(2,3-dihydroxypropylamino)-1-piperidin-1-ylpropan-1-one?
2-(2,3-dihydroxypropylamino)-1-piperidin-1-ylpropan-1-one has a molecular weight of 230.31 g/mol, XLogP of -0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropylamino)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 66178031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).