3-[[benzyl(methyl)amino]methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one

C23H30N2O2 — CID 56740841

IUPAC3-[[benzyl(methyl)amino]methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one
SMILESCN(Cc1ccccc1)CC1(O)CCCN(CCCc2ccccc2)C1=O
InChIInChI=1S/C23H30N2O2/c1-24(18-21-12-6-3-7-13-21)19-23(27)15-9-17-25(22(23)26)16-8-14-20-10-4-2-5-11-20/h2-7,10-13,27H,8-9,14-19H2,1H3
InChIKeyQGUSVCTYTGSRHV-UHFFFAOYSA-N
MW366.50 g/mol
LogP3.10
Rot. Bonds8

About 3-[[benzyl(methyl)amino]methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one

3-[[benzyl(methyl)amino]methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one (PubChem CID 56740841) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is 3-[[benzyl(methyl)amino]methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one.

Molecular Properties

Compound Name3-[[benzyl(methyl)amino]methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one
PubChem CID56740841
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC Name3-[[benzyl(methyl)amino]methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one
SMILESCN(Cc1ccccc1)CC1(O)CCCN(CCCc2ccccc2)C1=O
InChIInChI=1S/C23H30N2O2/c1-24(18-21-12-6-3-7-13-21)19-23(27)15-9-17-25(22(23)26)16-8-14-20-10-4-2-5-11-20/h2-7,10-13,27H,8-9,14-19H2,1H3
InChIKeyQGUSVCTYTGSRHV-UHFFFAOYSA-N
XLogP3.10
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)amino]methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one?
The IUPAC name of 3-[[benzyl(methyl)amino]methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one (CID 56740841) is 3-[[benzyl(methyl)amino]methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one.
What is the SMILES notation for 3-[[benzyl(methyl)amino]methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one?
The canonical SMILES for 3-[[benzyl(methyl)amino]methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one is CN(Cc1ccccc1)CC1(O)CCCN(CCCc2ccccc2)C1=O.
What is the InChIKey of 3-[[benzyl(methyl)amino]methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one?
The InChIKey is QGUSVCTYTGSRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-24(18-21-12-6-3-7-13-21)19-23(27)15-9-17-25(22(23)26)16-8-14-20-10-4-2-5-11-20/h2-7,10-13,27H,8-9,14-19H2,1H3.
What are the key properties of 3-[[benzyl(methyl)amino]methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one?
3-[[benzyl(methyl)amino]methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one has a molecular weight of 366.50 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(methyl)amino]methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one is sourced from PubChem (CID 56740841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).