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

C21H28N2O2S — CID 56746683

IUPAC3-hydroxy-3-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1-(3-phenylpropyl)piperidin-2-one
SMILESCN(Cc1cccs1)CC1(O)CCCN(CCCc2ccccc2)C1=O
InChIInChI=1S/C21H28N2O2S/c1-22(16-19-11-6-15-26-19)17-21(25)12-7-14-23(20(21)24)13-5-10-18-8-3-2-4-9-18/h2-4,6,8-9,11,15,25H,5,7,10,12-14,16-17H2,1H3
InChIKeyNVBHAHFMNWGNHP-UHFFFAOYSA-N
MW372.53 g/mol
LogP3.17
Rot. Bonds8

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

3-hydroxy-3-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1-(3-phenylpropyl)piperidin-2-one (PubChem CID 56746683) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is 3-hydroxy-3-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1-(3-phenylpropyl)piperidin-2-one.

Molecular Properties

Compound Name3-hydroxy-3-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1-(3-phenylpropyl)piperidin-2-one
PubChem CID56746683
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC Name3-hydroxy-3-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1-(3-phenylpropyl)piperidin-2-one
SMILESCN(Cc1cccs1)CC1(O)CCCN(CCCc2ccccc2)C1=O
InChIInChI=1S/C21H28N2O2S/c1-22(16-19-11-6-15-26-19)17-21(25)12-7-14-23(20(21)24)13-5-10-18-8-3-2-4-9-18/h2-4,6,8-9,11,15,25H,5,7,10,12-14,16-17H2,1H3
InChIKeyNVBHAHFMNWGNHP-UHFFFAOYSA-N
XLogP3.17
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1-(3-phenylpropyl)piperidin-2-one?
The IUPAC name of 3-hydroxy-3-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1-(3-phenylpropyl)piperidin-2-one (CID 56746683) is 3-hydroxy-3-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1-(3-phenylpropyl)piperidin-2-one.
What is the SMILES notation for 3-hydroxy-3-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1-(3-phenylpropyl)piperidin-2-one?
The canonical SMILES for 3-hydroxy-3-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1-(3-phenylpropyl)piperidin-2-one is CN(Cc1cccs1)CC1(O)CCCN(CCCc2ccccc2)C1=O.
What is the InChIKey of 3-hydroxy-3-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1-(3-phenylpropyl)piperidin-2-one?
The InChIKey is NVBHAHFMNWGNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-22(16-19-11-6-15-26-19)17-21(25)12-7-14-23(20(21)24)13-5-10-18-8-3-2-4-9-18/h2-4,6,8-9,11,15,25H,5,7,10,12-14,16-17H2,1H3.
What are the key properties of 3-hydroxy-3-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1-(3-phenylpropyl)piperidin-2-one?
3-hydroxy-3-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1-(3-phenylpropyl)piperidin-2-one has a molecular weight of 372.53 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1-(3-phenylpropyl)piperidin-2-one is sourced from PubChem (CID 56746683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).