2-[(2R)-1-[3-(3-cyanophenoxy)propyl]piperidin-2-yl]acetamide

C17H23N3O2 — CID 97228605

IUPAC2-[(2R)-1-[3-(3-cyanophenoxy)propyl]piperidin-2-yl]acetamide
SMILESN#Cc1cccc(OCCCN2CCCC[C@@H]2CC(N)=O)c1
InChIInChI=1S/C17H23N3O2/c18-13-14-5-3-7-16(11-14)22-10-4-9-20-8-2-1-6-15(20)12-17(19)21/h3,5,7,11,15H,1-2,4,6,8-10,12H2,(H2,19,21)/t15-/m1/s1
InChIKeyHIJRESUWPTWJMP-OAHLLOKOSA-N
MW301.39 g/mol
LogP2.06
Rot. Bonds7

About 2-[(2R)-1-[3-(3-cyanophenoxy)propyl]piperidin-2-yl]acetamide

2-[(2R)-1-[3-(3-cyanophenoxy)propyl]piperidin-2-yl]acetamide (PubChem CID 97228605) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[(2R)-1-[3-(3-cyanophenoxy)propyl]piperidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2R)-1-[3-(3-cyanophenoxy)propyl]piperidin-2-yl]acetamide
PubChem CID97228605
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-[(2R)-1-[3-(3-cyanophenoxy)propyl]piperidin-2-yl]acetamide
SMILESN#Cc1cccc(OCCCN2CCCC[C@@H]2CC(N)=O)c1
InChIInChI=1S/C17H23N3O2/c18-13-14-5-3-7-16(11-14)22-10-4-9-20-8-2-1-6-15(20)12-17(19)21/h3,5,7,11,15H,1-2,4,6,8-10,12H2,(H2,19,21)/t15-/m1/s1
InChIKeyHIJRESUWPTWJMP-OAHLLOKOSA-N
XLogP2.06
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-1-[3-(3-cyanophenoxy)propyl]pyrrolidine-2-carboxylate
CID 97062500
3-[3-(2,3-dimethylpiperidin-1-yl)propoxy]benzonitrile
CID 62123740
3-[3-(azocan-1-yl)propoxy]benzonitrile
CID 43288881
[1-[3-(3-aminophenoxy)propyl]piperidin-2-yl]methanol
CID 61406719
3-[2-[(2R)-2-(morpholine-4-carbonyl)piperidin-1-yl]ethoxy]benzonitrile
CID 95176288
3-[3-(3,4-dihydroxypyrrolidin-1-yl)propoxy]benzonitrile
CID 106669453
(2S)-2-[1-[2-(3-cyanophenoxy)ethyl]piperidin-4-yl]-2-hydroxyacetamide
CID 129489911
2-[(2S)-1-[3-(2-methoxyethoxy)benzoyl]piperidin-2-yl]acetamide
CID 95293638
3-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]benzonitrile
CID 62123204
3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]benzonitrile
CID 43592083
1-(3-phenoxypropyl)piperidine-2-carbaldehyde
CID 62655361
3-(3-cyclopentyloxypropoxy)benzonitrile
CID 43289282

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[3-(3-cyanophenoxy)propyl]piperidin-2-yl]acetamide?
The IUPAC name of 2-[(2R)-1-[3-(3-cyanophenoxy)propyl]piperidin-2-yl]acetamide (CID 97228605) is 2-[(2R)-1-[3-(3-cyanophenoxy)propyl]piperidin-2-yl]acetamide.
What is the SMILES notation for 2-[(2R)-1-[3-(3-cyanophenoxy)propyl]piperidin-2-yl]acetamide?
The canonical SMILES for 2-[(2R)-1-[3-(3-cyanophenoxy)propyl]piperidin-2-yl]acetamide is N#Cc1cccc(OCCCN2CCCC[C@@H]2CC(N)=O)c1.
What is the InChIKey of 2-[(2R)-1-[3-(3-cyanophenoxy)propyl]piperidin-2-yl]acetamide?
The InChIKey is HIJRESUWPTWJMP-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N3O2/c18-13-14-5-3-7-16(11-14)22-10-4-9-20-8-2-1-6-15(20)12-17(19)21/h3,5,7,11,15H,1-2,4,6,8-10,12H2,(H2,19,21)/t15-/m1/s1.
What are the key properties of 2-[(2R)-1-[3-(3-cyanophenoxy)propyl]piperidin-2-yl]acetamide?
2-[(2R)-1-[3-(3-cyanophenoxy)propyl]piperidin-2-yl]acetamide has a molecular weight of 301.39 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[3-(3-cyanophenoxy)propyl]piperidin-2-yl]acetamide is sourced from PubChem (CID 97228605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).