(3R)-3-hydroxy-3-[(4-methylpiperidin-1-yl)methyl]-1-(3-phenylpropyl)piperidin-2-one

C21H32N2O2 — CID 25364316

IUPAC(3R)-3-hydroxy-3-[(4-methylpiperidin-1-yl)methyl]-1-(3-phenylpropyl)piperidin-2-one
SMILESCC1CCN(C[C@]2(O)CCCN(CCCc3ccccc3)C2=O)CC1
InChIInChI=1S/C21H32N2O2/c1-18-10-15-22(16-11-18)17-21(25)12-6-14-23(20(21)24)13-5-9-19-7-3-2-4-8-19/h2-4,7-8,18,25H,5-6,9-17H2,1H3/t21-/m1/s1
InChIKeyJSBUZUYSLXVBMY-OAQYLSRUSA-N
MW344.50 g/mol
LogP2.70
Rot. Bonds6

About (3R)-3-hydroxy-3-[(4-methylpiperidin-1-yl)methyl]-1-(3-phenylpropyl)piperidin-2-one

(3R)-3-hydroxy-3-[(4-methylpiperidin-1-yl)methyl]-1-(3-phenylpropyl)piperidin-2-one (PubChem CID 25364316) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-[(4-methylpiperidin-1-yl)methyl]-1-(3-phenylpropyl)piperidin-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-[(4-methylpiperidin-1-yl)methyl]-1-(3-phenylpropyl)piperidin-2-one
PubChem CID25364316
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name(3R)-3-hydroxy-3-[(4-methylpiperidin-1-yl)methyl]-1-(3-phenylpropyl)piperidin-2-one
SMILESCC1CCN(C[C@]2(O)CCCN(CCCc3ccccc3)C2=O)CC1
InChIInChI=1S/C21H32N2O2/c1-18-10-15-22(16-11-18)17-21(25)12-6-14-23(20(21)24)13-5-9-19-7-3-2-4-8-19/h2-4,7-8,18,25H,5-6,9-17H2,1H3/t21-/m1/s1
InChIKeyJSBUZUYSLXVBMY-OAQYLSRUSA-N
XLogP2.70
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-[(4-methylpiperidin-1-yl)methyl]-1-(3-phenylpropyl)piperidin-2-one?
The IUPAC name of (3R)-3-hydroxy-3-[(4-methylpiperidin-1-yl)methyl]-1-(3-phenylpropyl)piperidin-2-one (CID 25364316) is (3R)-3-hydroxy-3-[(4-methylpiperidin-1-yl)methyl]-1-(3-phenylpropyl)piperidin-2-one.
What is the SMILES notation for (3R)-3-hydroxy-3-[(4-methylpiperidin-1-yl)methyl]-1-(3-phenylpropyl)piperidin-2-one?
The canonical SMILES for (3R)-3-hydroxy-3-[(4-methylpiperidin-1-yl)methyl]-1-(3-phenylpropyl)piperidin-2-one is CC1CCN(C[C@]2(O)CCCN(CCCc3ccccc3)C2=O)CC1.
What is the InChIKey of (3R)-3-hydroxy-3-[(4-methylpiperidin-1-yl)methyl]-1-(3-phenylpropyl)piperidin-2-one?
The InChIKey is JSBUZUYSLXVBMY-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-18-10-15-22(16-11-18)17-21(25)12-6-14-23(20(21)24)13-5-9-19-7-3-2-4-8-19/h2-4,7-8,18,25H,5-6,9-17H2,1H3/t21-/m1/s1.
What are the key properties of (3R)-3-hydroxy-3-[(4-methylpiperidin-1-yl)methyl]-1-(3-phenylpropyl)piperidin-2-one?
(3R)-3-hydroxy-3-[(4-methylpiperidin-1-yl)methyl]-1-(3-phenylpropyl)piperidin-2-one has a molecular weight of 344.50 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-[(4-methylpiperidin-1-yl)methyl]-1-(3-phenylpropyl)piperidin-2-one is sourced from PubChem (CID 25364316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).