2-(3-aminophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone

C15H21N3O — CID 65350257

IUPAC2-(3-aminophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone
SMILESC=CCN1CCN(C(=O)Cc2cccc(N)c2)CC1
InChIInChI=1S/C15H21N3O/c1-2-6-17-7-9-18(10-8-17)15(19)12-13-4-3-5-14(16)11-13/h2-5,11H,1,6-10,12,16H2
InChIKeyYHKDIZMJIRGWSZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.14
Rot. Bonds4

About 2-(3-aminophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone

2-(3-aminophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone (PubChem CID 65350257) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(3-aminophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-aminophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone
PubChem CID65350257
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(3-aminophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone
SMILESC=CCN1CCN(C(=O)Cc2cccc(N)c2)CC1
InChIInChI=1S/C15H21N3O/c1-2-6-17-7-9-18(10-8-17)15(19)12-13-4-3-5-14(16)11-13/h2-5,11H,1,6-10,12,16H2
InChIKeyYHKDIZMJIRGWSZ-UHFFFAOYSA-N
XLogP1.14
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone
CID 62499348
2-phenyl-1-(4-prop-2-enyl-1,4-diazepan-1-yl)ethanone
CID 95750020
2-(3-aminophenyl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 62499024
1-[2-(3-aminophenyl)acetyl]piperidine-4-carboxamide
CID 28711990
2-(2-fluorophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone
CID 6468034
2-(3-aminophenyl)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone
CID 28689676
3-(2-aminophenyl)-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
CID 107272971
2-(3-aminophenyl)-1-(4-methoxypiperidin-1-yl)ethanone
CID 62499161
4-phenyl-1-(4-prop-2-enylpiperazin-1-yl)butan-1-one
CID 6468754
2-(4-ethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone
CID 6465047
2-(2-phenylmethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone
CID 18456201
2-(3-aminophenyl)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63972458

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-aminophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone (CID 65350257) is 2-(3-aminophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-aminophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-aminophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone is C=CCN1CCN(C(=O)Cc2cccc(N)c2)CC1.
What is the InChIKey of 2-(3-aminophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
The InChIKey is YHKDIZMJIRGWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-6-17-7-9-18(10-8-17)15(19)12-13-4-3-5-14(16)11-13/h2-5,11H,1,6-10,12,16H2.
What are the key properties of 2-(3-aminophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
2-(3-aminophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone has a molecular weight of 259.35 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone is sourced from PubChem (CID 65350257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).