N-[4-[(2S)-2-hydroxy-3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]acetamide

C17H26N2O3 — CID 51422944

IUPACN-[4-[(2S)-2-hydroxy-3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC[C@@H](O)CN2CCC[C@@H](C)C2)cc1
InChIInChI=1S/C17H26N2O3/c1-13-4-3-9-19(10-13)11-16(21)12-22-17-7-5-15(6-8-17)18-14(2)20/h5-8,13,16,21H,3-4,9-12H2,1-2H3,(H,18,20)/t13-,16+/m1/s1
InChIKeyGESMYNQNRCGSED-CJNGLKHVSA-N
MW306.41 g/mol
LogP2.12
Rot. Bonds6

About N-[4-[(2S)-2-hydroxy-3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]acetamide

N-[4-[(2S)-2-hydroxy-3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]acetamide (PubChem CID 51422944) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[4-[(2S)-2-hydroxy-3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2S)-2-hydroxy-3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]acetamide
PubChem CID51422944
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[4-[(2S)-2-hydroxy-3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC[C@@H](O)CN2CCC[C@@H](C)C2)cc1
InChIInChI=1S/C17H26N2O3/c1-13-4-3-9-19(10-13)11-16(21)12-22-17-7-5-15(6-8-17)18-14(2)20/h5-8,13,16,21H,3-4,9-12H2,1-2H3,(H,18,20)/t13-,16+/m1/s1
InChIKeyGESMYNQNRCGSED-CJNGLKHVSA-N
XLogP2.12
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(2S)-2-hydroxy-3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 7125581
N-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenyl]acetamide
CID 2962057
N-[4-[(2S)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 51422964
N-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]acetamide chloride
CID 46863837
(2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 7447463
(2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-(4-phenylphenoxy)propan-2-ol
CID 51422999
N-[4-[2-hydroxy-3-(2-phenylpyrrolidin-1-yl)propoxy]phenyl]acetamide
CID 55680120
N-[[1-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-3-yl]methyl]acetamide
CID 110908283
ethyl 4-[(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]piperazine-1-carboxylate
CID 7126214
3-[2-hydroxy-3-(3-methylpiperidin-1-yl)propoxy]benzonitrile
CID 43288589
1-(3-methylpiperidin-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol chloride
CID 21237412
ethyl 4-[3-(4-acetamidophenoxy)-2-hydroxypropyl]piperazine-1-carboxylate;hydrochloride
CID 44891568

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-2-hydroxy-3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]acetamide?
The IUPAC name of N-[4-[(2S)-2-hydroxy-3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]acetamide (CID 51422944) is N-[4-[(2S)-2-hydroxy-3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2S)-2-hydroxy-3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[(2S)-2-hydroxy-3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]acetamide is CC(=O)Nc1ccc(OC[C@@H](O)CN2CCC[C@@H](C)C2)cc1.
What is the InChIKey of N-[4-[(2S)-2-hydroxy-3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]acetamide?
The InChIKey is GESMYNQNRCGSED-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13-4-3-9-19(10-13)11-16(21)12-22-17-7-5-15(6-8-17)18-14(2)20/h5-8,13,16,21H,3-4,9-12H2,1-2H3,(H,18,20)/t13-,16+/m1/s1.
What are the key properties of N-[4-[(2S)-2-hydroxy-3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]acetamide?
N-[4-[(2S)-2-hydroxy-3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]acetamide has a molecular weight of 306.41 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-2-hydroxy-3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]acetamide is sourced from PubChem (CID 51422944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).