2-(3,4-dimethoxyphenyl)-2-methyl-N-(3-piperazin-1-ylpropyl)propanamide

C19H31N3O3 — CID 119391625

IUPAC2-(3,4-dimethoxyphenyl)-2-methyl-N-(3-piperazin-1-ylpropyl)propanamide
SMILESCOc1ccc(C(C)(C)C(=O)NCCCN2CCNCC2)cc1OC
InChIInChI=1S/C19H31N3O3/c1-19(2,15-6-7-16(24-3)17(14-15)25-4)18(23)21-8-5-11-22-12-9-20-10-13-22/h6-7,14,20H,5,8-13H2,1-4H3,(H,21,23)
InChIKeyBRRXKXBCBIPEKR-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.39
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-2-methyl-N-(3-piperazin-1-ylpropyl)propanamide

2-(3,4-dimethoxyphenyl)-2-methyl-N-(3-piperazin-1-ylpropyl)propanamide (PubChem CID 119391625) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-2-methyl-N-(3-piperazin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-2-methyl-N-(3-piperazin-1-ylpropyl)propanamide
PubChem CID119391625
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name2-(3,4-dimethoxyphenyl)-2-methyl-N-(3-piperazin-1-ylpropyl)propanamide
SMILESCOc1ccc(C(C)(C)C(=O)NCCCN2CCNCC2)cc1OC
InChIInChI=1S/C19H31N3O3/c1-19(2,15-6-7-16(24-3)17(14-15)25-4)18(23)21-8-5-11-22-12-9-20-10-13-22/h6-7,14,20H,5,8-13H2,1-4H3,(H,21,23)
InChIKeyBRRXKXBCBIPEKR-UHFFFAOYSA-N
XLogP1.39
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride
CID 119382877
4-ethoxy-3-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392200
2-(5-bromo-2-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392447
2-(3-fluoro-4-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119390744
2-(4-methoxyphenyl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)butyl]propanamide
CID 110437822
2-(3-fluorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119445254
3-(difluoromethoxy)-4-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119391951
3-(5-chloro-2-methoxyanilino)-N-(3-piperazin-1-ylpropyl)propanamide
CID 119394510
2-(3,4-dimethoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide
CID 120943522
N-(3-piperazin-1-ylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 119393671
2,2-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide
CID 55103201
4-bromo-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
CID 81464328

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-2-methyl-N-(3-piperazin-1-ylpropyl)propanamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-2-methyl-N-(3-piperazin-1-ylpropyl)propanamide (CID 119391625) is 2-(3,4-dimethoxyphenyl)-2-methyl-N-(3-piperazin-1-ylpropyl)propanamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-2-methyl-N-(3-piperazin-1-ylpropyl)propanamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-2-methyl-N-(3-piperazin-1-ylpropyl)propanamide is COc1ccc(C(C)(C)C(=O)NCCCN2CCNCC2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-2-methyl-N-(3-piperazin-1-ylpropyl)propanamide?
The InChIKey is BRRXKXBCBIPEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-19(2,15-6-7-16(24-3)17(14-15)25-4)18(23)21-8-5-11-22-12-9-20-10-13-22/h6-7,14,20H,5,8-13H2,1-4H3,(H,21,23).
What are the key properties of 2-(3,4-dimethoxyphenyl)-2-methyl-N-(3-piperazin-1-ylpropyl)propanamide?
2-(3,4-dimethoxyphenyl)-2-methyl-N-(3-piperazin-1-ylpropyl)propanamide has a molecular weight of 349.48 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-2-methyl-N-(3-piperazin-1-ylpropyl)propanamide is sourced from PubChem (CID 119391625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).