2-(1,3-benzodioxol-5-yl)-N-(1-propylpiperidin-4-yl)acetamide

C17H24N2O3 — CID 86822757

IUPAC2-(1,3-benzodioxol-5-yl)-N-(1-propylpiperidin-4-yl)acetamide
SMILESCCCN1CCC(NC(=O)Cc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C17H24N2O3/c1-2-7-19-8-5-14(6-9-19)18-17(20)11-13-3-4-15-16(10-13)22-12-21-15/h3-4,10,14H,2,5-9,11-12H2,1H3,(H,18,20)
InChIKeyQJGJFCRPDKZRII-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.95
Rot. Bonds5

About 2-(1,3-benzodioxol-5-yl)-N-(1-propylpiperidin-4-yl)acetamide

2-(1,3-benzodioxol-5-yl)-N-(1-propylpiperidin-4-yl)acetamide (PubChem CID 86822757) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-(1-propylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-(1-propylpiperidin-4-yl)acetamide
PubChem CID86822757
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-(1-propylpiperidin-4-yl)acetamide
SMILESCCCN1CCC(NC(=O)Cc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C17H24N2O3/c1-2-7-19-8-5-14(6-9-19)18-17(20)11-13-3-4-15-16(10-13)22-12-21-15/h3-4,10,14H,2,5-9,11-12H2,1H3,(H,18,20)
InChIKeyQJGJFCRPDKZRII-UHFFFAOYSA-N
XLogP1.95
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 9114216
N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 17392024
N-(1-cyclopropylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43051431
3-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylpiperidin-4-yl)propanamide
CID 43051485
1-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111017198
ethyl 4-[3-(1,3-benzodioxol-5-ylmethylamino)propanoylamino]piperidine-1-carboxylate
CID 109022740
2-[4-[[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]amino]piperidin-1-yl]acetamide
CID 51084112
2-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-cyclohexylacetamide
CID 17405781
1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-methylurea
CID 49136959
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 87000361
2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]-N-cyclopropylacetamide
CID 16668006
ethyl 4-(1,3-benzodioxol-5-ylmethylamino)piperidine-1-carboxylate
CID 2846590

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(1-propylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(1-propylpiperidin-4-yl)acetamide (CID 86822757) is 2-(1,3-benzodioxol-5-yl)-N-(1-propylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-(1-propylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-(1-propylpiperidin-4-yl)acetamide is CCCN1CCC(NC(=O)Cc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-(1-propylpiperidin-4-yl)acetamide?
The InChIKey is QJGJFCRPDKZRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-2-7-19-8-5-14(6-9-19)18-17(20)11-13-3-4-15-16(10-13)22-12-21-15/h3-4,10,14H,2,5-9,11-12H2,1H3,(H,18,20).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-(1-propylpiperidin-4-yl)acetamide?
2-(1,3-benzodioxol-5-yl)-N-(1-propylpiperidin-4-yl)acetamide has a molecular weight of 304.39 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-(1-propylpiperidin-4-yl)acetamide is sourced from PubChem (CID 86822757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).