2-[1-[2-(2-cyanophenoxy)propanoyl]piperidin-4-yl]acetamide

C17H21N3O3 — CID 56797155

IUPAC2-[1-[2-(2-cyanophenoxy)propanoyl]piperidin-4-yl]acetamide
SMILESCC(Oc1ccccc1C#N)C(=O)N1CCC(CC(N)=O)CC1
InChIInChI=1S/C17H21N3O3/c1-12(23-15-5-3-2-4-14(15)11-18)17(22)20-8-6-13(7-9-20)10-16(19)21/h2-5,12-13H,6-10H2,1H3,(H2,19,21)
InChIKeyHVSHVDUREYGFKX-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.44
Rot. Bonds5

About 2-[1-[2-(2-cyanophenoxy)propanoyl]piperidin-4-yl]acetamide

2-[1-[2-(2-cyanophenoxy)propanoyl]piperidin-4-yl]acetamide (PubChem CID 56797155) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-[1-[2-(2-cyanophenoxy)propanoyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[2-(2-cyanophenoxy)propanoyl]piperidin-4-yl]acetamide
PubChem CID56797155
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-[1-[2-(2-cyanophenoxy)propanoyl]piperidin-4-yl]acetamide
SMILESCC(Oc1ccccc1C#N)C(=O)N1CCC(CC(N)=O)CC1
InChIInChI=1S/C17H21N3O3/c1-12(23-15-5-3-2-4-14(15)11-18)17(22)20-8-6-13(7-9-20)10-16(19)21/h2-5,12-13H,6-10H2,1H3,(H2,19,21)
InChIKeyHVSHVDUREYGFKX-UHFFFAOYSA-N
XLogP1.44
TPSA96.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 66291798
2-[(2R)-1-(4-acetyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]oxybenzonitrile
CID 94069833
2-[(2S)-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 95759342
2-[(2S)-1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 95759344
2-[(2S)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 95613625
2-[1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]oxybenzonitrile
CID 55939522
1-[2-(2-ethylphenoxy)propanoyl]piperidine-4-carboxamide
CID 43886059
(2S)-1-[(2R)-2-(2-cyanophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 95766785
2-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzamide
CID 41176180
(2S)-1-[(2S)-2-(2-cyanophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 95766784
2-[1-[2-(2-hydroxyethyl)piperidin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 110887926
methyl 2-(2-cyanophenoxy)propanoate
CID 21465360

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-cyanophenoxy)propanoyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[2-(2-cyanophenoxy)propanoyl]piperidin-4-yl]acetamide (CID 56797155) is 2-[1-[2-(2-cyanophenoxy)propanoyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[2-(2-cyanophenoxy)propanoyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[2-(2-cyanophenoxy)propanoyl]piperidin-4-yl]acetamide is CC(Oc1ccccc1C#N)C(=O)N1CCC(CC(N)=O)CC1.
What is the InChIKey of 2-[1-[2-(2-cyanophenoxy)propanoyl]piperidin-4-yl]acetamide?
The InChIKey is HVSHVDUREYGFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12(23-15-5-3-2-4-14(15)11-18)17(22)20-8-6-13(7-9-20)10-16(19)21/h2-5,12-13H,6-10H2,1H3,(H2,19,21).
What are the key properties of 2-[1-[2-(2-cyanophenoxy)propanoyl]piperidin-4-yl]acetamide?
2-[1-[2-(2-cyanophenoxy)propanoyl]piperidin-4-yl]acetamide has a molecular weight of 315.37 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-cyanophenoxy)propanoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 56797155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).