piperidin-4-ylmethyl 2-(3-benzoylphenyl)propanoate;hydrochloride

C22H26ClNO3 — CID 175063173

IUPACpiperidin-4-ylmethyl 2-(3-benzoylphenyl)propanoate;hydrochloride
SMILESCC(C(=O)OCC1CCNCC1)c1cccc(C(=O)c2ccccc2)c1.Cl
InChIInChI=1S/C22H25NO3.ClH/c1-16(22(25)26-15-17-10-12-23-13-11-17)19-8-5-9-20(14-19)21(24)18-6-3-2-4-7-18;/h2-9,14,16-17,23H,10-13,15H2,1H3;1H
InChIKeyBFAUDIUWDJBAAO-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.99
Rot. Bonds6

About piperidin-4-ylmethyl 2-(3-benzoylphenyl)propanoate;hydrochloride

piperidin-4-ylmethyl 2-(3-benzoylphenyl)propanoate;hydrochloride (PubChem CID 175063173) has the molecular formula C22H26ClNO3 and a molecular weight of 387.91 g/mol. Its IUPAC name is piperidin-4-ylmethyl 2-(3-benzoylphenyl)propanoate;hydrochloride.

Molecular Properties

Compound Namepiperidin-4-ylmethyl 2-(3-benzoylphenyl)propanoate;hydrochloride
PubChem CID175063173
Molecular FormulaC22H26ClNO3
Molecular Weight387.91 g/mol
Exact Mass387.16
IUPAC Namepiperidin-4-ylmethyl 2-(3-benzoylphenyl)propanoate;hydrochloride
SMILESCC(C(=O)OCC1CCNCC1)c1cccc(C(=O)c2ccccc2)c1.Cl
InChIInChI=1S/C22H25NO3.ClH/c1-16(22(25)26-15-17-10-12-23-13-11-17)19-8-5-9-20(14-19)21(24)18-6-3-2-4-7-18;/h2-9,14,16-17,23H,10-13,15H2,1H3;1H
InChIKeyBFAUDIUWDJBAAO-UHFFFAOYSA-N
XLogP3.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-ylmethyl 2-(3-benzoylphenyl)propanoate;hydrochloride?
The IUPAC name of piperidin-4-ylmethyl 2-(3-benzoylphenyl)propanoate;hydrochloride (CID 175063173) is piperidin-4-ylmethyl 2-(3-benzoylphenyl)propanoate;hydrochloride.
What is the SMILES notation for piperidin-4-ylmethyl 2-(3-benzoylphenyl)propanoate;hydrochloride?
The canonical SMILES for piperidin-4-ylmethyl 2-(3-benzoylphenyl)propanoate;hydrochloride is CC(C(=O)OCC1CCNCC1)c1cccc(C(=O)c2ccccc2)c1.Cl.
What is the InChIKey of piperidin-4-ylmethyl 2-(3-benzoylphenyl)propanoate;hydrochloride?
The InChIKey is BFAUDIUWDJBAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3.ClH/c1-16(22(25)26-15-17-10-12-23-13-11-17)19-8-5-9-20(14-19)21(24)18-6-3-2-4-7-18;/h2-9,14,16-17,23H,10-13,15H2,1H3;1H.
What are the key properties of piperidin-4-ylmethyl 2-(3-benzoylphenyl)propanoate;hydrochloride?
piperidin-4-ylmethyl 2-(3-benzoylphenyl)propanoate;hydrochloride has a molecular weight of 387.91 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-ylmethyl 2-(3-benzoylphenyl)propanoate;hydrochloride is sourced from PubChem (CID 175063173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).