N-(1,3-benzodioxol-5-yl)-3-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]propanamide

C22H26ClN3O3 — CID 46571319

IUPACN-(1,3-benzodioxol-5-yl)-3-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]propanamide
SMILESCC(c1ccccc1Cl)N1CCN(CCC(=O)Nc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C22H26ClN3O3/c1-16(18-4-2-3-5-19(18)23)26-12-10-25(11-13-26)9-8-22(27)24-17-6-7-20-21(14-17)29-15-28-20/h2-7,14,16H,8-13,15H2,1H3,(H,24,27)
InChIKeyVZXZRKUQSWWMAZ-UHFFFAOYSA-N
MW415.92 g/mol
LogP3.78
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-3-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]propanamide

N-(1,3-benzodioxol-5-yl)-3-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]propanamide (PubChem CID 46571319) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]propanamide
PubChem CID46571319
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]propanamide
SMILESCC(c1ccccc1Cl)N1CCN(CCC(=O)Nc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C22H26ClN3O3/c1-16(18-4-2-3-5-19(18)23)26-12-10-25(11-13-26)9-8-22(27)24-17-6-7-20-21(14-17)29-15-28-20/h2-7,14,16H,8-13,15H2,1H3,(H,24,27)
InChIKeyVZXZRKUQSWWMAZ-UHFFFAOYSA-N
XLogP3.78
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-[1-(2-chlorophenyl)ethyl]urea
CID 17182509
2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 18085953
N-(1,3-benzodioxol-5-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 13210213
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 704893
2-[1-(2-chlorophenyl)ethylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 42885351
N-(1,3-benzodioxol-5-yl)-3-(2,6-dichloroanilino)propanamide
CID 109042278
N'-(1,3-benzodioxol-5-yl)-N-[2-(2-chlorophenyl)-2-methoxyethyl]oxamide
CID 90623969
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30957498
3-[4-(2-chlorophenyl)piperazin-1-yl]propyl N-(1,3-benzodioxol-5-yl)carbamate
CID 19794366
N-(1,3-benzodioxol-5-yl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide
CID 55626129
2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-ethylacetamide
CID 134010431
N-(1,3-benzodioxol-5-yl)-3-[4-(6,7-dimethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]propanamide
CID 59069282

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]propanamide (CID 46571319) is N-(1,3-benzodioxol-5-yl)-3-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]propanamide is CC(c1ccccc1Cl)N1CCN(CCC(=O)Nc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]propanamide?
The InChIKey is VZXZRKUQSWWMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O3/c1-16(18-4-2-3-5-19(18)23)26-12-10-25(11-13-26)9-8-22(27)24-17-6-7-20-21(14-17)29-15-28-20/h2-7,14,16H,8-13,15H2,1H3,(H,24,27).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]propanamide?
N-(1,3-benzodioxol-5-yl)-3-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]propanamide has a molecular weight of 415.92 g/mol, XLogP of 3.78, 6 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-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 46571319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).