[1-(4-oxopiperidin-3-yl)-3-phenylpropan-2-yl] formate;hydrochloride

C15H20ClNO3 — CID 174589840

IUPAC[1-(4-oxopiperidin-3-yl)-3-phenylpropan-2-yl] formate;hydrochloride
SMILESCl.O=COC(Cc1ccccc1)CC1CNCCC1=O
InChIInChI=1S/C15H19NO3.ClH/c17-11-19-14(8-12-4-2-1-3-5-12)9-13-10-16-7-6-15(13)18;/h1-5,11,13-14,16H,6-10H2;1H
InChIKeyVSOUGSHAIIMINA-UHFFFAOYSA-N
MW297.78 g/mol
LogP1.76
Rot. Bonds6

About [1-(4-oxopiperidin-3-yl)-3-phenylpropan-2-yl] formate;hydrochloride

[1-(4-oxopiperidin-3-yl)-3-phenylpropan-2-yl] formate;hydrochloride (PubChem CID 174589840) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is [1-(4-oxopiperidin-3-yl)-3-phenylpropan-2-yl] formate;hydrochloride.

Molecular Properties

Compound Name[1-(4-oxopiperidin-3-yl)-3-phenylpropan-2-yl] formate;hydrochloride
PubChem CID174589840
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name[1-(4-oxopiperidin-3-yl)-3-phenylpropan-2-yl] formate;hydrochloride
SMILESCl.O=COC(Cc1ccccc1)CC1CNCCC1=O
InChIInChI=1S/C15H19NO3.ClH/c17-11-19-14(8-12-4-2-1-3-5-12)9-13-10-16-7-6-15(13)18;/h1-5,11,13-14,16H,6-10H2;1H
InChIKeyVSOUGSHAIIMINA-UHFFFAOYSA-N
XLogP1.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(4-oxopiperidin-3-yl)-3-phenylpropan-2-yl] formate;hydrochloride?
The IUPAC name of [1-(4-oxopiperidin-3-yl)-3-phenylpropan-2-yl] formate;hydrochloride (CID 174589840) is [1-(4-oxopiperidin-3-yl)-3-phenylpropan-2-yl] formate;hydrochloride.
What is the SMILES notation for [1-(4-oxopiperidin-3-yl)-3-phenylpropan-2-yl] formate;hydrochloride?
The canonical SMILES for [1-(4-oxopiperidin-3-yl)-3-phenylpropan-2-yl] formate;hydrochloride is Cl.O=COC(Cc1ccccc1)CC1CNCCC1=O.
What is the InChIKey of [1-(4-oxopiperidin-3-yl)-3-phenylpropan-2-yl] formate;hydrochloride?
The InChIKey is VSOUGSHAIIMINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3.ClH/c17-11-19-14(8-12-4-2-1-3-5-12)9-13-10-16-7-6-15(13)18;/h1-5,11,13-14,16H,6-10H2;1H.
What are the key properties of [1-(4-oxopiperidin-3-yl)-3-phenylpropan-2-yl] formate;hydrochloride?
[1-(4-oxopiperidin-3-yl)-3-phenylpropan-2-yl] formate;hydrochloride has a molecular weight of 297.78 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-oxopiperidin-3-yl)-3-phenylpropan-2-yl] formate;hydrochloride is sourced from PubChem (CID 174589840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).