1-piperidin-1-yl-2-[2-(propylamino)ethoxy]propan-1-one

C13H26N2O2 — CID 55060507

IUPAC1-piperidin-1-yl-2-[2-(propylamino)ethoxy]propan-1-one
SMILESCCCNCCOC(C)C(=O)N1CCCCC1
InChIInChI=1S/C13H26N2O2/c1-3-7-14-8-11-17-12(2)13(16)15-9-5-4-6-10-15/h12,14H,3-11H2,1-2H3
InChIKeyMIJGWUGRGJHUPM-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.40
Rot. Bonds7

About 1-piperidin-1-yl-2-[2-(propylamino)ethoxy]propan-1-one

1-piperidin-1-yl-2-[2-(propylamino)ethoxy]propan-1-one (PubChem CID 55060507) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[2-(propylamino)ethoxy]propan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[2-(propylamino)ethoxy]propan-1-one
PubChem CID55060507
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-piperidin-1-yl-2-[2-(propylamino)ethoxy]propan-1-one
SMILESCCCNCCOC(C)C(=O)N1CCCCC1
InChIInChI=1S/C13H26N2O2/c1-3-7-14-8-11-17-12(2)13(16)15-9-5-4-6-10-15/h12,14H,3-11H2,1-2H3
InChIKeyMIJGWUGRGJHUPM-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(ethylamino)ethoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 62338415
1-(azocan-1-yl)-2-but-3-enoxypropan-1-one
CID 86849553
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-(propylamino)acetamide
CID 113408453
2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one
CID 79781284
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
(2R)-1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 51943619
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propylpropanamide
CID 60677295
1-(azepan-1-yl)-2-(butylamino)propan-1-one
CID 43086925
2-[(1-aminocyclopentyl)methoxy]-1-(azepan-1-yl)propan-1-one
CID 64572244
1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 163844566
1-[2-(2-ethoxyethoxy)propanoyl]piperidine-3-carboxylic acid
CID 119167924
1-piperidin-1-yl-2-[3-(propylaminomethyl)piperidin-1-yl]propan-1-one
CID 63848820

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[2-(propylamino)ethoxy]propan-1-one?
The IUPAC name of 1-piperidin-1-yl-2-[2-(propylamino)ethoxy]propan-1-one (CID 55060507) is 1-piperidin-1-yl-2-[2-(propylamino)ethoxy]propan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-2-[2-(propylamino)ethoxy]propan-1-one?
The canonical SMILES for 1-piperidin-1-yl-2-[2-(propylamino)ethoxy]propan-1-one is CCCNCCOC(C)C(=O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-[2-(propylamino)ethoxy]propan-1-one?
The InChIKey is MIJGWUGRGJHUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-7-14-8-11-17-12(2)13(16)15-9-5-4-6-10-15/h12,14H,3-11H2,1-2H3.
What are the key properties of 1-piperidin-1-yl-2-[2-(propylamino)ethoxy]propan-1-one?
1-piperidin-1-yl-2-[2-(propylamino)ethoxy]propan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[2-(propylamino)ethoxy]propan-1-one is sourced from PubChem (CID 55060507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).