2-(1,3-benzodioxol-4-yl)-N-(4-piperidin-1-ylphenyl)acetamide

C20H22N2O3 — CID 110862145

IUPAC2-(1,3-benzodioxol-4-yl)-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(Cc1cccc2c1OCO2)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H22N2O3/c23-19(13-15-5-4-6-18-20(15)25-14-24-18)21-16-7-9-17(10-8-16)22-11-2-1-3-12-22/h4-10H,1-3,11-14H2,(H,21,23)
InChIKeyNRJOTNLDHQZVCW-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.59
Rot. Bonds4

About 2-(1,3-benzodioxol-4-yl)-N-(4-piperidin-1-ylphenyl)acetamide

2-(1,3-benzodioxol-4-yl)-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 110862145) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-4-yl)-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-4-yl)-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID110862145
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-(1,3-benzodioxol-4-yl)-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(Cc1cccc2c1OCO2)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H22N2O3/c23-19(13-15-5-4-6-18-20(15)25-14-24-18)21-16-7-9-17(10-8-16)22-11-2-1-3-12-22/h4-10H,1-3,11-14H2,(H,21,23)
InChIKeyNRJOTNLDHQZVCW-UHFFFAOYSA-N
XLogP3.59
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
2-(2-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 28712679
N-(3-acetamidophenyl)-2-(1,3-benzodioxol-4-yl)acetamide
CID 110861232
N-[4-(azepan-1-yl)phenyl]-2-(1,3-benzodioxol-5-ylmethylamino)acetamide
CID 43816680
2-(3-aminophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 28712283
2-(3-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 16552460
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108947251
N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 112985752
2-(1,3-benzodioxol-4-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 110853146
N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylphenyl)acetamide
CID 110650708
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 1,3-benzodioxole-5-carboxylate
CID 2496074
[2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 9201384

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-4-yl)-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-4-yl)-N-(4-piperidin-1-ylphenyl)acetamide (CID 110862145) is 2-(1,3-benzodioxol-4-yl)-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-4-yl)-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-4-yl)-N-(4-piperidin-1-ylphenyl)acetamide is O=C(Cc1cccc2c1OCO2)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-(1,3-benzodioxol-4-yl)-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is NRJOTNLDHQZVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-19(13-15-5-4-6-18-20(15)25-14-24-18)21-16-7-9-17(10-8-16)22-11-2-1-3-12-22/h4-10H,1-3,11-14H2,(H,21,23).
What are the key properties of 2-(1,3-benzodioxol-4-yl)-N-(4-piperidin-1-ylphenyl)acetamide?
2-(1,3-benzodioxol-4-yl)-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 338.41 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-4-yl)-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 110862145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).