3-amino-1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propan-1-one

C15H23N3O3 — CID 4740951

IUPAC3-amino-1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc(N2CCN(C(=O)CCN)CC2)c(OC)c1
InChIInChI=1S/C15H23N3O3/c1-20-12-3-4-13(14(11-12)21-2)17-7-9-18(10-8-17)15(19)5-6-16/h3-4,11H,5-10,16H2,1-2H3
InChIKeyDFIVAKVOBGXKCZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.70
Rot. Bonds5

About 3-amino-1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propan-1-one

3-amino-1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 4740951) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-amino-1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID4740951
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-amino-1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc(N2CCN(C(=O)CCN)CC2)c(OC)c1
InChIInChI=1S/C15H23N3O3/c1-20-12-3-4-13(14(11-12)21-2)17-7-9-18(10-8-17)15(19)5-6-16/h3-4,11H,5-10,16H2,1-2H3
InChIKeyDFIVAKVOBGXKCZ-UHFFFAOYSA-N
XLogP0.70
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone;ethane
CID 143404168
[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113077894
4-[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 96693290
3-(3-methoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 34318339
1-[4-(3-aminopropanoyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 119306765
3-(3,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 8867327
1-[4-(3-methoxynaphthalen-2-yl)piperazin-1-yl]propan-1-one
CID 176932959
4-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109057
1-[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]-2-methoxyethanone
CID 82533865
N-(2,6-dichlorophenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 3696119
4-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 3338318
3-amino-1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one
CID 68532871

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propan-1-one (CID 4740951) is 3-amino-1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propan-1-one is COc1ccc(N2CCN(C(=O)CCN)CC2)c(OC)c1.
What is the InChIKey of 3-amino-1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is DFIVAKVOBGXKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-20-12-3-4-13(14(11-12)21-2)17-7-9-18(10-8-17)15(19)5-6-16/h3-4,11H,5-10,16H2,1-2H3.
What are the key properties of 3-amino-1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propan-1-one?
3-amino-1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 293.37 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 4740951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).