N-(1,3-benzodioxol-5-yl)-3-(4-methylpiperazin-1-yl)propanamide

C15H21N3O3 — CID 773030

IUPACN-(1,3-benzodioxol-5-yl)-3-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(CCC(=O)Nc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C15H21N3O3/c1-17-6-8-18(9-7-17)5-4-15(19)16-12-2-3-13-14(10-12)21-11-20-13/h2-3,10H,4-9,11H2,1H3,(H,16,19)
InChIKeyUNBSCAJISLJXRQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.99
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-3-(4-methylpiperazin-1-yl)propanamide

N-(1,3-benzodioxol-5-yl)-3-(4-methylpiperazin-1-yl)propanamide (PubChem CID 773030) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-(4-methylpiperazin-1-yl)propanamide
PubChem CID773030
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(CCC(=O)Nc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C15H21N3O3/c1-17-6-8-18(9-7-17)5-4-15(19)16-12-2-3-13-14(10-12)21-11-20-13/h2-3,10H,4-9,11H2,1H3,(H,16,19)
InChIKeyUNBSCAJISLJXRQ-UHFFFAOYSA-N
XLogP0.99
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(4-methylpiperazin-1-yl)propanamide (CID 773030) is N-(1,3-benzodioxol-5-yl)-3-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-(4-methylpiperazin-1-yl)propanamide is CN1CCN(CCC(=O)Nc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is UNBSCAJISLJXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-17-6-8-18(9-7-17)5-4-15(19)16-12-2-3-13-14(10-12)21-11-20-13/h2-3,10H,4-9,11H2,1H3,(H,16,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-(4-methylpiperazin-1-yl)propanamide?
N-(1,3-benzodioxol-5-yl)-3-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 291.35 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 773030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).