5-(1,3-benzodioxol-5-yl)-N-piperidin-1-ylpenta-2,4-dienamide

C17H20N2O3 — CID 87362285

IUPAC5-(1,3-benzodioxol-5-yl)-N-piperidin-1-ylpenta-2,4-dienamide
SMILESO=C(C=CC=Cc1ccc2c(c1)OCO2)NN1CCCCC1
InChIInChI=1S/C17H20N2O3/c20-17(18-19-10-4-1-5-11-19)7-3-2-6-14-8-9-15-16(12-14)22-13-21-15/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,18,20)
InChIKeyNHAYYAGBJSQPSI-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.50
Rot. Bonds4

About 5-(1,3-benzodioxol-5-yl)-N-piperidin-1-ylpenta-2,4-dienamide

5-(1,3-benzodioxol-5-yl)-N-piperidin-1-ylpenta-2,4-dienamide (PubChem CID 87362285) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-N-piperidin-1-ylpenta-2,4-dienamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-N-piperidin-1-ylpenta-2,4-dienamide
PubChem CID87362285
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name5-(1,3-benzodioxol-5-yl)-N-piperidin-1-ylpenta-2,4-dienamide
SMILESO=C(C=CC=Cc1ccc2c(c1)OCO2)NN1CCCCC1
InChIInChI=1S/C17H20N2O3/c20-17(18-19-10-4-1-5-11-19)7-3-2-6-14-8-9-15-16(12-14)22-13-21-15/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,18,20)
InChIKeyNHAYYAGBJSQPSI-UHFFFAOYSA-N
XLogP2.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z,4Z)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one;(2Z,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one;(2E,4Z)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one;(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
CID 163759026
(2E,4E,6E)-7-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylhepta-2,4,6-trien-1-one
CID 10244953
(2Z,4E)-5-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylpenta-2,4-dien-1-one
CID 11471237
(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoic acid;(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
CID 160815421
(2S)-2-[[(2Z,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]amino]propanoic acid
CID 24832825
(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-(2-hydroxyethyl)penta-2,4-dienamide
CID 87135324
(2E,4E,6E)-7-(1,3-benzodioxol-5-yl)hepta-2,4,6-trienoic acid
CID 13001439
5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl chloride
CID 71404419
(E)-1-(azepan-1-yl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one
CID 6176841
5-(1,3-benzodioxol-5-yl)-N,N-dimethylpenta-2,4-dienamide
CID 3065846
(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-(1-hydroxybutan-2-yl)penta-2,4-dienamide
CID 45482114
(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)penta-2,4-dienamide
CID 101018068

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-piperidin-1-ylpenta-2,4-dienamide?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-piperidin-1-ylpenta-2,4-dienamide (CID 87362285) is 5-(1,3-benzodioxol-5-yl)-N-piperidin-1-ylpenta-2,4-dienamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-N-piperidin-1-ylpenta-2,4-dienamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-N-piperidin-1-ylpenta-2,4-dienamide is O=C(C=CC=Cc1ccc2c(c1)OCO2)NN1CCCCC1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-N-piperidin-1-ylpenta-2,4-dienamide?
The InChIKey is NHAYYAGBJSQPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-17(18-19-10-4-1-5-11-19)7-3-2-6-14-8-9-15-16(12-14)22-13-21-15/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,18,20).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-N-piperidin-1-ylpenta-2,4-dienamide?
5-(1,3-benzodioxol-5-yl)-N-piperidin-1-ylpenta-2,4-dienamide has a molecular weight of 300.36 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-N-piperidin-1-ylpenta-2,4-dienamide is sourced from PubChem (CID 87362285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).