2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone

C15H21N3O2 — CID 119292854

IUPAC2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone
SMILESCCc1ccc(C(=O)N2CCN(C(=O)CN)CC2)cc1
InChIInChI=1S/C15H21N3O2/c1-2-12-3-5-13(6-4-12)15(20)18-9-7-17(8-10-18)14(19)11-16/h3-6H,2,7-11,16H2,1H3
InChIKeyYPCKNISZLRTRSP-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.49
Rot. Bonds3

About 2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone

2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone (PubChem CID 119292854) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone
PubChem CID119292854
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone
SMILESCCc1ccc(C(=O)N2CCN(C(=O)CN)CC2)cc1
InChIInChI=1S/C15H21N3O2/c1-2-12-3-5-13(6-4-12)15(20)18-9-7-17(8-10-18)14(19)11-16/h3-6H,2,7-11,16H2,1H3
InChIKeyYPCKNISZLRTRSP-UHFFFAOYSA-N
XLogP0.49
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 63340870
[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32770513
(4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone
CID 146084360
2-[4-(4-ethylbenzoyl)piperazin-1-yl]propanenitrile
CID 63337287
2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-phenylacetamide
CID 51297445
cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 84546397
(2S)-2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]-4-methylpentan-1-one
CID 119730005
4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzonitrile
CID 32772147
[4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 46592446
[4-[4-(difluoromethylsulfanyl)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32772704
2-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 46593384
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(4-ethylphenyl)methanone;hydrochloride
CID 119729984

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone (CID 119292854) is 2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone is CCc1ccc(C(=O)N2CCN(C(=O)CN)CC2)cc1.
What is the InChIKey of 2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone?
The InChIKey is YPCKNISZLRTRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-12-3-5-13(6-4-12)15(20)18-9-7-17(8-10-18)14(19)11-16/h3-6H,2,7-11,16H2,1H3.
What are the key properties of 2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone?
2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone has a molecular weight of 275.35 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 119292854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).