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

C20H22ClN3O3 — CID 120771136

IUPACN-(1,3-benzodioxol-5-yl)-3-[2-(3-chlorophenyl)piperazin-1-yl]propanamide
SMILESO=C(CCN1CCNCC1c1cccc(Cl)c1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C20H22ClN3O3/c21-15-3-1-2-14(10-15)17-12-22-7-9-24(17)8-6-20(25)23-16-4-5-18-19(11-16)27-13-26-18/h1-5,10-11,17,22H,6-9,12-13H2,(H,23,25)
InChIKeyBTJHAQDWUMLGRV-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.04
Rot. Bonds5

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

N-(1,3-benzodioxol-5-yl)-3-[2-(3-chlorophenyl)piperazin-1-yl]propanamide (PubChem CID 120771136) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-[2-(3-chlorophenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-[2-(3-chlorophenyl)piperazin-1-yl]propanamide
PubChem CID120771136
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-[2-(3-chlorophenyl)piperazin-1-yl]propanamide
SMILESO=C(CCN1CCNCC1c1cccc(Cl)c1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C20H22ClN3O3/c21-15-3-1-2-14(10-15)17-12-22-7-9-24(17)8-6-20(25)23-16-4-5-18-19(11-16)27-13-26-18/h1-5,10-11,17,22H,6-9,12-13H2,(H,23,25)
InChIKeyBTJHAQDWUMLGRV-UHFFFAOYSA-N
XLogP3.04
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120770889
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754464
(2S)-1-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 119910626
methyl 4-[2-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylbutanoate
CID 120846877
3-[2-(3-chlorophenyl)piperazin-1-yl]-1-(2-methylpyrrolidin-1-yl)propan-1-one
CID 120771094
N-butan-2-yl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 120770817
N-benzyl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 120771028
2-[2-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone;hydrochloride
CID 120770750
N-(2-acetylphenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120771171
2-[2-(3-chlorophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 120770819
N-(2,5-dichlorophenyl)-3-(2-pyridin-3-ylpiperazin-1-yl)propanamide
CID 120754693
2-[[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide
CID 120770920

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[2-(3-chlorophenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[2-(3-chlorophenyl)piperazin-1-yl]propanamide (CID 120771136) is N-(1,3-benzodioxol-5-yl)-3-[2-(3-chlorophenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-[2-(3-chlorophenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-[2-(3-chlorophenyl)piperazin-1-yl]propanamide is O=C(CCN1CCNCC1c1cccc(Cl)c1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-[2-(3-chlorophenyl)piperazin-1-yl]propanamide?
The InChIKey is BTJHAQDWUMLGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c21-15-3-1-2-14(10-15)17-12-22-7-9-24(17)8-6-20(25)23-16-4-5-18-19(11-16)27-13-26-18/h1-5,10-11,17,22H,6-9,12-13H2,(H,23,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-[2-(3-chlorophenyl)piperazin-1-yl]propanamide?
N-(1,3-benzodioxol-5-yl)-3-[2-(3-chlorophenyl)piperazin-1-yl]propanamide has a molecular weight of 387.87 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-[2-(3-chlorophenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 120771136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).