3-(1,3-benzodioxol-5-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide

C24H31N3O3 — CID 55620679

IUPAC3-(1,3-benzodioxol-5-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide
SMILESCN1CCN(CCCNC(=O)CCc2ccc3c(c2)OCO3)C(c2ccccc2)C1
InChIInChI=1S/C24H31N3O3/c1-26-14-15-27(21(17-26)20-6-3-2-4-7-20)13-5-12-25-24(28)11-9-19-8-10-22-23(16-19)30-18-29-22/h2-4,6-8,10,16,21H,5,9,11-15,17-18H2,1H3,(H,25,28)
InChIKeyRSCIYXJFPDEXKU-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.84
Rot. Bonds8

About 3-(1,3-benzodioxol-5-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide

3-(1,3-benzodioxol-5-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide (PubChem CID 55620679) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide
PubChem CID55620679
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide
SMILESCN1CCN(CCCNC(=O)CCc2ccc3c(c2)OCO3)C(c2ccccc2)C1
InChIInChI=1S/C24H31N3O3/c1-26-14-15-27(21(17-26)20-6-3-2-4-7-20)13-5-12-25-24(28)11-9-19-8-10-22-23(16-19)30-18-29-22/h2-4,6-8,10,16,21H,5,9,11-15,17-18H2,1H3,(H,25,28)
InChIKeyRSCIYXJFPDEXKU-UHFFFAOYSA-N
XLogP2.84
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 55939655
3-(1,3-benzodioxol-5-yl)-N-butylpropanamide
CID 53278203
2-(2-methoxyphenyl)-N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]acetamide
CID 37295525
3-(1,3-benzodioxol-5-yl)-N-(3-hydroxypropyl)propanamide
CID 43417651
3-(1,3-benzodioxol-5-yl)-N-(4-hydroxypentyl)propanamide
CID 107300178
3-(1,3-benzodioxol-5-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
CID 43066995
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide
CID 55620817
3-(1,3-benzodioxol-5-yl)-N-[3-(2-oxoazepan-1-yl)propyl]propanamide
CID 46521646
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide
CID 60509713
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-phenylpropyl)propanamide
CID 31946678
methyl 4-(4-methyl-2-phenylpiperazin-1-yl)butanoate
CID 43377701
(2R)-N-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propyl]-2-phenylbutanamide
CID 124813932

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide (CID 55620679) is 3-(1,3-benzodioxol-5-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide is CN1CCN(CCCNC(=O)CCc2ccc3c(c2)OCO3)C(c2ccccc2)C1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide?
The InChIKey is RSCIYXJFPDEXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-26-14-15-27(21(17-26)20-6-3-2-4-7-20)13-5-12-25-24(28)11-9-19-8-10-22-23(16-19)30-18-29-22/h2-4,6-8,10,16,21H,5,9,11-15,17-18H2,1H3,(H,25,28).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide?
3-(1,3-benzodioxol-5-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide has a molecular weight of 409.53 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide is sourced from PubChem (CID 55620679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).