diethyl-[3-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]azaniumyl]propyl]azanium

C15H33N3O+2 — CID 7437423

IUPACdiethyl-[3-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]azaniumyl]propyl]azanium
SMILESCC[NH+](CC)CCC[NH2+][C@H](C)C(=O)N1CCCCC1
InChIInChI=1S/C15H31N3O/c1-4-17(5-2)11-9-10-16-14(3)15(19)18-12-7-6-8-13-18/h14,16H,4-13H2,1-3H3/p+2/t14-/m1/s1
InChIKeyIEBYOGRTJXACPT-CQSZACIVSA-P
MW271.45 g/mol
LogP-0.73
Rot. Bonds8

About diethyl-[3-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]azaniumyl]propyl]azanium

diethyl-[3-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]azaniumyl]propyl]azanium (PubChem CID 7437423) has the molecular formula C15H33N3O+2 and a molecular weight of 271.45 g/mol. Its IUPAC name is diethyl-[3-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]azaniumyl]propyl]azanium.

Molecular Properties

Compound Namediethyl-[3-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]azaniumyl]propyl]azanium
PubChem CID7437423
Molecular FormulaC15H33N3O+2
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Namediethyl-[3-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]azaniumyl]propyl]azanium
SMILESCC[NH+](CC)CCC[NH2+][C@H](C)C(=O)N1CCCCC1
InChIInChI=1S/C15H31N3O/c1-4-17(5-2)11-9-10-16-14(3)15(19)18-12-7-6-8-13-18/h14,16H,4-13H2,1-3H3/p+2/t14-/m1/s1
InChIKeyIEBYOGRTJXACPT-CQSZACIVSA-P
XLogP-0.73
TPSA41.36 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
(2S,3S)-1,2,3-tri(piperidin-1-yl)butan-1-one
CID 92573696
(2R)-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 91806212
(2R)-1-(azocan-1-yl)-2-hydroxypropan-1-one
CID 130736139
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-piperidin-1-yl-2-sulfanylbutan-1-one
CID 131177063
2-[3-aminopropyl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 43137255
1-(azepan-1-yl)-2-(butylamino)propan-1-one
CID 43086925
2-[2-aminoethyl(propan-2-yl)amino]-1-(azepan-1-yl)propan-1-one
CID 61350499
2-(3-aminopropylsulfinyl)-1-piperidin-1-ylpropan-1-one
CID 81187675
1-(azocan-1-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 62852509
2-[bis(2-chloroethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 3064207

Frequently Asked Questions

What is the IUPAC name of diethyl-[3-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]azaniumyl]propyl]azanium?
The IUPAC name of diethyl-[3-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]azaniumyl]propyl]azanium (CID 7437423) is diethyl-[3-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]azaniumyl]propyl]azanium.
What is the SMILES notation for diethyl-[3-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]azaniumyl]propyl]azanium?
The canonical SMILES for diethyl-[3-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]azaniumyl]propyl]azanium is CC[NH+](CC)CCC[NH2+][C@H](C)C(=O)N1CCCCC1.
What is the InChIKey of diethyl-[3-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]azaniumyl]propyl]azanium?
The InChIKey is IEBYOGRTJXACPT-CQSZACIVSA-P. The full InChI is InChI=1S/C15H31N3O/c1-4-17(5-2)11-9-10-16-14(3)15(19)18-12-7-6-8-13-18/h14,16H,4-13H2,1-3H3/p+2/t14-/m1/s1.
What are the key properties of diethyl-[3-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]azaniumyl]propyl]azanium?
diethyl-[3-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]azaniumyl]propyl]azanium has a molecular weight of 271.45 g/mol, XLogP of -0.73, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[3-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]azaniumyl]propyl]azanium is sourced from PubChem (CID 7437423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).