(2S)-2-[1-[2-(3-cyanophenoxy)ethyl]piperidin-4-yl]-2-hydroxyacetamide

C16H21N3O3 — CID 129489911

IUPAC(2S)-2-[1-[2-(3-cyanophenoxy)ethyl]piperidin-4-yl]-2-hydroxyacetamide
SMILESN#Cc1cccc(OCCN2CCC([C@H](O)C(N)=O)CC2)c1
InChIInChI=1S/C16H21N3O3/c17-11-12-2-1-3-14(10-12)22-9-8-19-6-4-13(5-7-19)15(20)16(18)21/h1-3,10,13,15,20H,4-9H2,(H2,18,21)/t15-/m0/s1
InChIKeyHWXAVYFMAFUMRQ-HNNXBMFYSA-N
MW303.36 g/mol
LogP0.50
Rot. Bonds6

About (2S)-2-[1-[2-(3-cyanophenoxy)ethyl]piperidin-4-yl]-2-hydroxyacetamide

(2S)-2-[1-[2-(3-cyanophenoxy)ethyl]piperidin-4-yl]-2-hydroxyacetamide (PubChem CID 129489911) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is (2S)-2-[1-[2-(3-cyanophenoxy)ethyl]piperidin-4-yl]-2-hydroxyacetamide.

Molecular Properties

Compound Name(2S)-2-[1-[2-(3-cyanophenoxy)ethyl]piperidin-4-yl]-2-hydroxyacetamide
PubChem CID129489911
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name(2S)-2-[1-[2-(3-cyanophenoxy)ethyl]piperidin-4-yl]-2-hydroxyacetamide
SMILESN#Cc1cccc(OCCN2CCC([C@H](O)C(N)=O)CC2)c1
InChIInChI=1S/C16H21N3O3/c17-11-12-2-1-3-14(10-12)22-9-8-19-6-4-13(5-7-19)15(20)16(18)21/h1-3,10,13,15,20H,4-9H2,(H2,18,21)/t15-/m0/s1
InChIKeyHWXAVYFMAFUMRQ-HNNXBMFYSA-N
XLogP0.50
TPSA99.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile
CID 103714071
3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]benzonitrile
CID 43592078
3-[2-(4-propylpiperazin-1-yl)ethoxy]benzonitrile
CID 43288798
3-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethoxy]benzonitrile
CID 79084884
1-[2-(3-cyanophenoxy)ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 51124507
3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]benzonitrile
CID 60980737
3-[2-(8-azaspiro[4.5]decan-8-yl)ethoxy]benzonitrile
CID 63160927
3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]benzonitrile
CID 43592083
3-[2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethoxy]benzonitrile
CID 95285974
3-[2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]ethoxy]benzonitrile
CID 56817172
(2R)-2-hydroxy-2-[1-[(2R)-2-hydroxy-3-phenoxypropyl]piperidin-4-yl]acetamide
CID 129490089
3-[3-(azocan-1-yl)propoxy]benzonitrile
CID 43288881

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-[2-(3-cyanophenoxy)ethyl]piperidin-4-yl]-2-hydroxyacetamide?
The IUPAC name of (2S)-2-[1-[2-(3-cyanophenoxy)ethyl]piperidin-4-yl]-2-hydroxyacetamide (CID 129489911) is (2S)-2-[1-[2-(3-cyanophenoxy)ethyl]piperidin-4-yl]-2-hydroxyacetamide.
What is the SMILES notation for (2S)-2-[1-[2-(3-cyanophenoxy)ethyl]piperidin-4-yl]-2-hydroxyacetamide?
The canonical SMILES for (2S)-2-[1-[2-(3-cyanophenoxy)ethyl]piperidin-4-yl]-2-hydroxyacetamide is N#Cc1cccc(OCCN2CCC([C@H](O)C(N)=O)CC2)c1.
What is the InChIKey of (2S)-2-[1-[2-(3-cyanophenoxy)ethyl]piperidin-4-yl]-2-hydroxyacetamide?
The InChIKey is HWXAVYFMAFUMRQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21N3O3/c17-11-12-2-1-3-14(10-12)22-9-8-19-6-4-13(5-7-19)15(20)16(18)21/h1-3,10,13,15,20H,4-9H2,(H2,18,21)/t15-/m0/s1.
What are the key properties of (2S)-2-[1-[2-(3-cyanophenoxy)ethyl]piperidin-4-yl]-2-hydroxyacetamide?
(2S)-2-[1-[2-(3-cyanophenoxy)ethyl]piperidin-4-yl]-2-hydroxyacetamide has a molecular weight of 303.36 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-[2-(3-cyanophenoxy)ethyl]piperidin-4-yl]-2-hydroxyacetamide is sourced from PubChem (CID 129489911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).