3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride

C19H30ClN3O3 — CID 120980416

IUPAC3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCCCN(CCC(=O)N1CCNCC1)CC1COc2ccccc2O1.Cl
InChIInChI=1S/C19H29N3O3.ClH/c1-2-10-21(11-7-19(23)22-12-8-20-9-13-22)14-16-15-24-17-5-3-4-6-18(17)25-16;/h3-6,16,20H,2,7-15H2,1H3;1H
InChIKeyMBWYARNVFWZIEK-UHFFFAOYSA-N
MW383.92 g/mol
LogP1.78
Rot. Bonds7

About 3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride

3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride (PubChem CID 120980416) has the molecular formula C19H30ClN3O3 and a molecular weight of 383.92 g/mol. Its IUPAC name is 3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
PubChem CID120980416
Molecular FormulaC19H30ClN3O3
Molecular Weight383.92 g/mol
Exact Mass383.20
IUPAC Name3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCCCN(CCC(=O)N1CCNCC1)CC1COc2ccccc2O1.Cl
InChIInChI=1S/C19H29N3O3.ClH/c1-2-10-21(11-7-19(23)22-12-8-20-9-13-22)14-16-15-24-17-5-3-4-6-18(17)25-16;/h3-6,16,20H,2,7-15H2,1H3;1H
InChIKeyMBWYARNVFWZIEK-UHFFFAOYSA-N
XLogP1.78
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride with MolForge

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Related Compounds

3-(dipropylamino)-1-piperazin-1-ylpropan-1-one
CID 39255849
3-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylpropanamide;hydrochloride
CID 119268328
N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzenesulfonamide
CID 50775970
2-methyl-4-(3-oxo-3-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one;hydrochloride
CID 119402579
2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethylamino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 51869924
ethyl 4-[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]acetyl]piperazine-1-carboxylate
CID 46562193
2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-morpholin-4-ylethanone
CID 7332710
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylpyrrolidin-3-amine
CID 63301028
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-propylpyridine-2-carboxamide
CID 94332608
3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-N,N-dimethylpropanamide
CID 3064428
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methyl-1-piperidin-4-yl-N-propyltriazole-4-carboxamide
CID 119684038
3-[1-phenylpropyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980922

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride (CID 120980416) is 3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride is CCCN(CCC(=O)N1CCNCC1)CC1COc2ccccc2O1.Cl.
What is the InChIKey of 3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The InChIKey is MBWYARNVFWZIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3.ClH/c1-2-10-21(11-7-19(23)22-12-8-20-9-13-22)14-16-15-24-17-5-3-4-6-18(17)25-16;/h3-6,16,20H,2,7-15H2,1H3;1H.
What are the key properties of 3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride has a molecular weight of 383.92 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 120980416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).