2-(1,3-benzodioxol-5-yl)-N-(pyrrolidin-3-ylmethyl)acetamide

C14H18N2O3 — CID 115271866

IUPAC2-(1,3-benzodioxol-5-yl)-N-(pyrrolidin-3-ylmethyl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)NCC1CCNC1
InChIInChI=1S/C14H18N2O3/c17-14(16-8-11-3-4-15-7-11)6-10-1-2-12-13(5-10)19-9-18-12/h1-2,5,11,15H,3-4,6-9H2,(H,16,17)
InChIKeyJSQFMJIIRWTWSZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.68
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yl)-N-(pyrrolidin-3-ylmethyl)acetamide

2-(1,3-benzodioxol-5-yl)-N-(pyrrolidin-3-ylmethyl)acetamide (PubChem CID 115271866) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-(pyrrolidin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-(pyrrolidin-3-ylmethyl)acetamide
PubChem CID115271866
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-(pyrrolidin-3-ylmethyl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)NCC1CCNC1
InChIInChI=1S/C14H18N2O3/c17-14(16-8-11-3-4-15-7-11)6-10-1-2-12-13(5-10)19-9-18-12/h1-2,5,11,15H,3-4,6-9H2,(H,16,17)
InChIKeyJSQFMJIIRWTWSZ-UHFFFAOYSA-N
XLogP0.68
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1,3-benzodioxol-5-yl)-N-(pyrrolidin-3-ylmethyl)acetamide 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

2-(1,3-benzodioxol-5-yl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide
CID 70722564
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(piperidin-4-ylmethyl)butanamide
CID 167751742
2-(1,3-benzodioxol-5-ylmethylamino)-N-(cyclopropylmethyl)acetamide
CID 60720069
N-(pyrrolidin-3-ylmethyl)-2-thiophen-3-ylacetamide
CID 71644965
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120944095
2-(3-nitrophenyl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 91660403
4-(1,3-benzodioxol-5-ylmethyl)piperidine
CID 17039498
N-(1,3-benzodioxol-5-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119261589
methyl 3-[2-oxo-2-(pyrrolidin-3-ylmethylamino)ethyl]benzoate;hydrochloride
CID 166238732
2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]acetic acid
CID 82291803
3-(4-fluorophenyl)-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride
CID 91660400
N-[(3-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 114699978

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(pyrrolidin-3-ylmethyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(pyrrolidin-3-ylmethyl)acetamide (CID 115271866) is 2-(1,3-benzodioxol-5-yl)-N-(pyrrolidin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-(pyrrolidin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-(pyrrolidin-3-ylmethyl)acetamide is O=C(Cc1ccc2c(c1)OCO2)NCC1CCNC1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-(pyrrolidin-3-ylmethyl)acetamide?
The InChIKey is JSQFMJIIRWTWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-14(16-8-11-3-4-15-7-11)6-10-1-2-12-13(5-10)19-9-18-12/h1-2,5,11,15H,3-4,6-9H2,(H,16,17).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-(pyrrolidin-3-ylmethyl)acetamide?
2-(1,3-benzodioxol-5-yl)-N-(pyrrolidin-3-ylmethyl)acetamide has a molecular weight of 262.31 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-(pyrrolidin-3-ylmethyl)acetamide is sourced from PubChem (CID 115271866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).