N-(1,3-benzodioxol-4-yl)-3-piperidin-1-ylpropanamide

C15H20N2O3 — CID 794212

IUPACN-(1,3-benzodioxol-4-yl)-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)Nc1cccc2c1OCO2
InChIInChI=1S/C15H20N2O3/c18-14(7-10-17-8-2-1-3-9-17)16-12-5-4-6-13-15(12)20-11-19-13/h4-6H,1-3,7-11H2,(H,16,18)
InChIKeyALETWVITFVBUIF-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.23
Rot. Bonds4

About N-(1,3-benzodioxol-4-yl)-3-piperidin-1-ylpropanamide

N-(1,3-benzodioxol-4-yl)-3-piperidin-1-ylpropanamide (PubChem CID 794212) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-yl)-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-yl)-3-piperidin-1-ylpropanamide
PubChem CID794212
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(1,3-benzodioxol-4-yl)-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)Nc1cccc2c1OCO2
InChIInChI=1S/C15H20N2O3/c18-14(7-10-17-8-2-1-3-9-17)16-12-5-4-6-13-15(12)20-11-19-13/h4-6H,1-3,7-11H2,(H,16,18)
InChIKeyALETWVITFVBUIF-UHFFFAOYSA-N
XLogP2.23
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzodioxol-4-yl)-3-piperidin-1-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-piperidin-1-ylacetamide chloride
CID 21228924
N-(2-bromophenyl)-3-pyrrolidin-1-ylpropanamide
CID 47148429
N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride
CID 2902883
3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110688356
N-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid
CID 171154607
N-(2-morpholin-4-ylphenyl)-3-piperidin-1-ylpropanamide
CID 110688369
3-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)propanamide;oxalic acid
CID 171154314
N-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid
CID 171154554
3-(1,3-benzodioxol-4-ylcarbamoylamino)propanoic acid
CID 122089295
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-piperidin-1-ylpropanamide
CID 6900602
2-[3-(azocan-1-yl)propanoylamino]-N-cyclopropylbenzamide
CID 24588779
2-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 55820715

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-yl)-3-piperidin-1-ylpropanamide?
The IUPAC name of N-(1,3-benzodioxol-4-yl)-3-piperidin-1-ylpropanamide (CID 794212) is N-(1,3-benzodioxol-4-yl)-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-(1,3-benzodioxol-4-yl)-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-(1,3-benzodioxol-4-yl)-3-piperidin-1-ylpropanamide is O=C(CCN1CCCCC1)Nc1cccc2c1OCO2.
What is the InChIKey of N-(1,3-benzodioxol-4-yl)-3-piperidin-1-ylpropanamide?
The InChIKey is ALETWVITFVBUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(7-10-17-8-2-1-3-9-17)16-12-5-4-6-13-15(12)20-11-19-13/h4-6H,1-3,7-11H2,(H,16,18).
What are the key properties of N-(1,3-benzodioxol-4-yl)-3-piperidin-1-ylpropanamide?
N-(1,3-benzodioxol-4-yl)-3-piperidin-1-ylpropanamide has a molecular weight of 276.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-yl)-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 794212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).