2-[4-[2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-prop-2-enylacetamide

C19H24N4O3 — CID 55451821

IUPAC2-[4-[2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C(=O)C(C)Oc2ccc(C#N)cc2)CC1
InChIInChI=1S/C19H24N4O3/c1-3-8-21-18(24)14-22-9-11-23(12-10-22)19(25)15(2)26-17-6-4-16(13-20)5-7-17/h3-7,15H,1,8-12,14H2,2H3,(H,21,24)
InChIKeyJHIWVOMANWKSOO-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.77
Rot. Bonds7

About 2-[4-[2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-prop-2-enylacetamide

2-[4-[2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-prop-2-enylacetamide (PubChem CID 55451821) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[4-[2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-[2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-prop-2-enylacetamide
PubChem CID55451821
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name2-[4-[2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C(=O)C(C)Oc2ccc(C#N)cc2)CC1
InChIInChI=1S/C19H24N4O3/c1-3-8-21-18(24)14-22-9-11-23(12-10-22)19(25)15(2)26-17-6-4-16(13-20)5-7-17/h3-7,15H,1,8-12,14H2,2H3,(H,21,24)
InChIKeyJHIWVOMANWKSOO-UHFFFAOYSA-N
XLogP0.77
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(2S)-2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-methylacetamide
CID 94868085
2-[4-[2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 46655001
4-[4-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]oxyphenyl]benzonitrile
CID 41310830
4-[1-(4-but-3-ynylpiperazin-1-yl)-1-oxopropan-2-yl]oxybenzonitrile
CID 47079281
2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 93368513
2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 78803715
2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride
CID 119837882
2-methyl-3-oxo-3-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanoic acid
CID 114897489
2-[4-[2-(4-tert-butylphenoxy)propanoyl]piperazin-1-yl]-N-methylacetamide
CID 78801387
4-[1-[4-(azepane-1-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 46483655
2-[4-[2-(4-cyanophenoxy)acetyl]piperazin-1-yl]-N-ethylacetamide
CID 46448701
4-[1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 134020958

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-[2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-prop-2-enylacetamide (CID 55451821) is 2-[4-[2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-[2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-[2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCN(C(=O)C(C)Oc2ccc(C#N)cc2)CC1.
What is the InChIKey of 2-[4-[2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is JHIWVOMANWKSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-3-8-21-18(24)14-22-9-11-23(12-10-22)19(25)15(2)26-17-6-4-16(13-20)5-7-17/h3-7,15H,1,8-12,14H2,2H3,(H,21,24).
What are the key properties of 2-[4-[2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-prop-2-enylacetamide?
2-[4-[2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 356.43 g/mol, XLogP of 0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 55451821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).