ethyl 2-[4-(4-aminobenzoyl)piperazin-1-yl]acetate

C15H21N3O3 — CID 166436255

IUPACethyl 2-[4-(4-aminobenzoyl)piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(C(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C15H21N3O3/c1-2-21-14(19)11-17-7-9-18(10-8-17)15(20)12-3-5-13(16)6-4-12/h3-6H,2,7-11,16H2,1H3
InChIKeyOZAVKIILYMKBBR-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.59
Rot. Bonds4

About ethyl 2-[4-(4-aminobenzoyl)piperazin-1-yl]acetate

ethyl 2-[4-(4-aminobenzoyl)piperazin-1-yl]acetate (PubChem CID 166436255) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is ethyl 2-[4-(4-aminobenzoyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(4-aminobenzoyl)piperazin-1-yl]acetate
PubChem CID166436255
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Nameethyl 2-[4-(4-aminobenzoyl)piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(C(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C15H21N3O3/c1-2-21-14(19)11-17-7-9-18(10-8-17)15(20)12-3-5-13(16)6-4-12/h3-6H,2,7-11,16H2,1H3
InChIKeyOZAVKIILYMKBBR-UHFFFAOYSA-N
XLogP0.59
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[4-(4-aminobenzoyl)piperazin-1-yl]acetate
CID 152732549
2-[4-(4-aminobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 60937139
(4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;dihydrochloride
CID 119826621
2-[4-(4-aminobenzoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843977
ethyl 4-[4-(4-hydroxybenzoyl)piperazin-1-yl]butanoate
CID 10781955
methyl 2-[4-(3-amino-4-methylbenzoyl)piperazin-1-yl]acetate
CID 60953023
methyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate
CID 60732940
ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate
CID 3146125
sodium;ethyl 2-[4,7,10-tris(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;iodide
CID 23722784
methyl 2-[4-(3-amino-4-fluorobenzoyl)piperazin-1-yl]acetate
CID 61114419
ethyl 2-[4-[[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]carbamoyl]piperazin-1-yl]acetate
CID 11177145
(4-aminophenyl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 54905926

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(4-aminobenzoyl)piperazin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(4-aminobenzoyl)piperazin-1-yl]acetate (CID 166436255) is ethyl 2-[4-(4-aminobenzoyl)piperazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(4-aminobenzoyl)piperazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(4-aminobenzoyl)piperazin-1-yl]acetate is CCOC(=O)CN1CCN(C(=O)c2ccc(N)cc2)CC1.
What is the InChIKey of ethyl 2-[4-(4-aminobenzoyl)piperazin-1-yl]acetate?
The InChIKey is OZAVKIILYMKBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-21-14(19)11-17-7-9-18(10-8-17)15(20)12-3-5-13(16)6-4-12/h3-6H,2,7-11,16H2,1H3.
What are the key properties of ethyl 2-[4-(4-aminobenzoyl)piperazin-1-yl]acetate?
ethyl 2-[4-(4-aminobenzoyl)piperazin-1-yl]acetate has a molecular weight of 291.35 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(4-aminobenzoyl)piperazin-1-yl]acetate is sourced from PubChem (CID 166436255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).