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

C21H32N2O3 — CID 56743392

IUPAC3-hydroxy-3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-(3-phenylpropyl)piperidin-2-one
SMILESO=C1N(CCCc2ccccc2)CCCC1(O)CN1CCC(CO)CC1
InChIInChI=1S/C21H32N2O3/c24-16-19-9-14-22(15-10-19)17-21(26)11-5-13-23(20(21)25)12-4-8-18-6-2-1-3-7-18/h1-3,6-7,19,24,26H,4-5,8-17H2
InChIKeyWZRIXHASXQFUDA-UHFFFAOYSA-N
MW360.50 g/mol
LogP1.68
Rot. Bonds7

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

3-hydroxy-3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-(3-phenylpropyl)piperidin-2-one (PubChem CID 56743392) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 3-hydroxy-3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-(3-phenylpropyl)piperidin-2-one.

Molecular Properties

Compound Name3-hydroxy-3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-(3-phenylpropyl)piperidin-2-one
PubChem CID56743392
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name3-hydroxy-3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-(3-phenylpropyl)piperidin-2-one
SMILESO=C1N(CCCc2ccccc2)CCCC1(O)CN1CCC(CO)CC1
InChIInChI=1S/C21H32N2O3/c24-16-19-9-14-22(15-10-19)17-21(26)11-5-13-23(20(21)25)12-4-8-18-6-2-1-3-7-18/h1-3,6-7,19,24,26H,4-5,8-17H2
InChIKeyWZRIXHASXQFUDA-UHFFFAOYSA-N
XLogP1.68
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-(3-phenylpropyl)piperidin-2-one?
The IUPAC name of 3-hydroxy-3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-(3-phenylpropyl)piperidin-2-one (CID 56743392) is 3-hydroxy-3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-(3-phenylpropyl)piperidin-2-one.
What is the SMILES notation for 3-hydroxy-3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-(3-phenylpropyl)piperidin-2-one?
The canonical SMILES for 3-hydroxy-3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-(3-phenylpropyl)piperidin-2-one is O=C1N(CCCc2ccccc2)CCCC1(O)CN1CCC(CO)CC1.
What is the InChIKey of 3-hydroxy-3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-(3-phenylpropyl)piperidin-2-one?
The InChIKey is WZRIXHASXQFUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c24-16-19-9-14-22(15-10-19)17-21(26)11-5-13-23(20(21)25)12-4-8-18-6-2-1-3-7-18/h1-3,6-7,19,24,26H,4-5,8-17H2.
What are the key properties of 3-hydroxy-3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-(3-phenylpropyl)piperidin-2-one?
3-hydroxy-3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-(3-phenylpropyl)piperidin-2-one has a molecular weight of 360.50 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-(3-phenylpropyl)piperidin-2-one is sourced from PubChem (CID 56743392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).