propanoyl 3-piperidin-4-ylpropanoate;hydrochloride

C11H20ClNO3 — CID 174378538

IUPACpropanoyl 3-piperidin-4-ylpropanoate;hydrochloride
SMILESCCC(=O)OC(=O)CCC1CCNCC1.Cl
InChIInChI=1S/C11H19NO3.ClH/c1-2-10(13)15-11(14)4-3-9-5-7-12-8-6-9;/h9,12H,2-8H2,1H3;1H
InChIKeyRXYTVKIXIGAVGL-UHFFFAOYSA-N
MW249.74 g/mol
LogP1.67
Rot. Bonds4

About propanoyl 3-piperidin-4-ylpropanoate;hydrochloride

propanoyl 3-piperidin-4-ylpropanoate;hydrochloride (PubChem CID 174378538) has the molecular formula C11H20ClNO3 and a molecular weight of 249.74 g/mol. Its IUPAC name is propanoyl 3-piperidin-4-ylpropanoate;hydrochloride.

Molecular Properties

Compound Namepropanoyl 3-piperidin-4-ylpropanoate;hydrochloride
PubChem CID174378538
Molecular FormulaC11H20ClNO3
Molecular Weight249.74 g/mol
Exact Mass249.11
IUPAC Namepropanoyl 3-piperidin-4-ylpropanoate;hydrochloride
SMILESCCC(=O)OC(=O)CCC1CCNCC1.Cl
InChIInChI=1S/C11H19NO3.ClH/c1-2-10(13)15-11(14)4-3-9-5-7-12-8-6-9;/h9,12H,2-8H2,1H3;1H
InChIKeyRXYTVKIXIGAVGL-UHFFFAOYSA-N
XLogP1.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 23062703
2-piperidin-4-ylethyl propanoate
CID 53408774
ethyl 3-(azepan-4-yl)propanoate;hydrochloride
CID 126845771
2-(diethylamino)ethyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 54603666
2-(diethylamino)ethyl 3-piperidin-4-ylpropanoate;dihydrochloride
CID 131858012
2,2-dimethylpentan-3-yl 3-piperidin-4-ylpropanoate
CID 71063287
ethynyl 3-piperidin-4-ylpropanoate
CID 174561652
2-piperidin-4-ylethyl butanoate
CID 174737441
piperidin-4-yl 3-cyclopropylpropanoate
CID 158472196
ethyl 4-piperidin-4-ylbutanoate
CID 10631848
1-ethylsulfonyl-3-piperidin-4-ylpropan-1-one
CID 117125827
acetic acid;3-piperidin-4-ylpropanoyl chloride
CID 174419355

Frequently Asked Questions

What is the IUPAC name of propanoyl 3-piperidin-4-ylpropanoate;hydrochloride?
The IUPAC name of propanoyl 3-piperidin-4-ylpropanoate;hydrochloride (CID 174378538) is propanoyl 3-piperidin-4-ylpropanoate;hydrochloride.
What is the SMILES notation for propanoyl 3-piperidin-4-ylpropanoate;hydrochloride?
The canonical SMILES for propanoyl 3-piperidin-4-ylpropanoate;hydrochloride is CCC(=O)OC(=O)CCC1CCNCC1.Cl.
What is the InChIKey of propanoyl 3-piperidin-4-ylpropanoate;hydrochloride?
The InChIKey is RXYTVKIXIGAVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3.ClH/c1-2-10(13)15-11(14)4-3-9-5-7-12-8-6-9;/h9,12H,2-8H2,1H3;1H.
What are the key properties of propanoyl 3-piperidin-4-ylpropanoate;hydrochloride?
propanoyl 3-piperidin-4-ylpropanoate;hydrochloride has a molecular weight of 249.74 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propanoyl 3-piperidin-4-ylpropanoate;hydrochloride is sourced from PubChem (CID 174378538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).