2-amino-2-phenyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone

C15H21N3O — CID 61174513

IUPAC2-amino-2-phenyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone
SMILESC=CCN1CCN(C(=O)C(N)c2ccccc2)CC1
InChIInChI=1S/C15H21N3O/c1-2-8-17-9-11-18(12-10-17)15(19)14(16)13-6-4-3-5-7-13/h2-7,14H,1,8-12,16H2
InChIKeyMECKDIILOVQJEU-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.02
Rot. Bonds4

About 2-amino-2-phenyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone

2-amino-2-phenyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone (PubChem CID 61174513) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-amino-2-phenyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-amino-2-phenyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone
PubChem CID61174513
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-amino-2-phenyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone
SMILESC=CCN1CCN(C(=O)C(N)c2ccccc2)CC1
InChIInChI=1S/C15H21N3O/c1-2-8-17-9-11-18(12-10-17)15(19)14(16)13-6-4-3-5-7-13/h2-7,14H,1,8-12,16H2
InChIKeyMECKDIILOVQJEU-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-methyl-3-phenyl-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
CID 80549933
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 119837821
(2S)-2-amino-4-phenyl-1-(4-prop-2-enylpiperazin-1-yl)butan-1-one
CID 104984171
(2S)-2-amino-1-(4-benzylpiperazin-1-yl)-2-phenylethanone;dihydrochloride
CID 171689425
(2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone
CID 22691647
2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981
2-amino-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)acetamide
CID 119879084
(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone
CID 28801220
N-(1-phenylethyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 113103532
2-amino-2-phenyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 119834072
2-amino-1-morpholin-4-yl-2-phenylethanone
CID 24701957
2-amino-2-phenyl-1-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]ethanone;dihydrochloride
CID 119844271

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
The IUPAC name of 2-amino-2-phenyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone (CID 61174513) is 2-amino-2-phenyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-amino-2-phenyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-amino-2-phenyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone is C=CCN1CCN(C(=O)C(N)c2ccccc2)CC1.
What is the InChIKey of 2-amino-2-phenyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
The InChIKey is MECKDIILOVQJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-8-17-9-11-18(12-10-17)15(19)14(16)13-6-4-3-5-7-13/h2-7,14H,1,8-12,16H2.
What are the key properties of 2-amino-2-phenyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
2-amino-2-phenyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone has a molecular weight of 259.35 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone is sourced from PubChem (CID 61174513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).