N-[(2R)-2-[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenoxy]propyl]-2-piperidin-1-ylacetamide

C23H33N3O2S — CID 42163229

IUPACN-[(2R)-2-[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenoxy]propyl]-2-piperidin-1-ylacetamide
SMILESC[C@H](CNC(=O)CN1CCCCC1)Oc1cccc(CN(C)Cc2ccsc2)c1
InChIInChI=1S/C23H33N3O2S/c1-19(14-24-23(27)17-26-10-4-3-5-11-26)28-22-8-6-7-20(13-22)15-25(2)16-21-9-12-29-18-21/h6-9,12-13,18-19H,3-5,10-11,14-17H2,1-2H3,(H,24,27)/t19-/m1/s1
InChIKeyMFHYMMHOTKVIML-LJQANCHMSA-N
MW415.60 g/mol
LogP3.75
Rot. Bonds10

About N-[(2R)-2-[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenoxy]propyl]-2-piperidin-1-ylacetamide

N-[(2R)-2-[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenoxy]propyl]-2-piperidin-1-ylacetamide (PubChem CID 42163229) has the molecular formula C23H33N3O2S and a molecular weight of 415.60 g/mol. Its IUPAC name is N-[(2R)-2-[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenoxy]propyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(2R)-2-[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenoxy]propyl]-2-piperidin-1-ylacetamide
PubChem CID42163229
Molecular FormulaC23H33N3O2S
Molecular Weight415.60 g/mol
Exact Mass415.23
IUPAC NameN-[(2R)-2-[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenoxy]propyl]-2-piperidin-1-ylacetamide
SMILESC[C@H](CNC(=O)CN1CCCCC1)Oc1cccc(CN(C)Cc2ccsc2)c1
InChIInChI=1S/C23H33N3O2S/c1-19(14-24-23(27)17-26-10-4-3-5-11-26)28-22-8-6-7-20(13-22)15-25(2)16-21-9-12-29-18-21/h6-9,12-13,18-19H,3-5,10-11,14-17H2,1-2H3,(H,24,27)/t19-/m1/s1
InChIKeyMFHYMMHOTKVIML-LJQANCHMSA-N
XLogP3.75
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.60
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(3-methoxyphenoxy)propyl]-1,2-dimethyl-1-(thiophen-3-ylmethyl)guanidine
CID 111502621
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N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]-2,2-diphenylacetamide
CID 26278030
2-methoxy-N-[(2R)-2-[3-(thiomorpholin-4-ylmethyl)phenoxy]propyl]acetamide
CID 42541715
2-methyl-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]-1,3-thiazole-4-carboxamide
CID 45195426
3-methoxy-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]benzamide
CID 45253226
2-(azepan-1-yl)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54814466
N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
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2-[[3-[(2R)-3-(azepan-1-yl)-2-hydroxypropoxy]phenyl]methyl-methylamino]-N-methylacetamide
CID 97273675
N-[2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 118755066
N-[2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 118758041
2,3-dimethoxy-N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]benzamide
CID 42407028

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenoxy]propyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[(2R)-2-[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenoxy]propyl]-2-piperidin-1-ylacetamide (CID 42163229) is N-[(2R)-2-[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenoxy]propyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[(2R)-2-[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenoxy]propyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[(2R)-2-[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenoxy]propyl]-2-piperidin-1-ylacetamide is C[C@H](CNC(=O)CN1CCCCC1)Oc1cccc(CN(C)Cc2ccsc2)c1.
What is the InChIKey of N-[(2R)-2-[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenoxy]propyl]-2-piperidin-1-ylacetamide?
The InChIKey is MFHYMMHOTKVIML-LJQANCHMSA-N. The full InChI is InChI=1S/C23H33N3O2S/c1-19(14-24-23(27)17-26-10-4-3-5-11-26)28-22-8-6-7-20(13-22)15-25(2)16-21-9-12-29-18-21/h6-9,12-13,18-19H,3-5,10-11,14-17H2,1-2H3,(H,24,27)/t19-/m1/s1.
What are the key properties of N-[(2R)-2-[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenoxy]propyl]-2-piperidin-1-ylacetamide?
N-[(2R)-2-[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenoxy]propyl]-2-piperidin-1-ylacetamide has a molecular weight of 415.60 g/mol, XLogP of 3.75, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenoxy]propyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 42163229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).