[4-(4-aminobenzoyl)piperazin-1-yl] 2,2-dimethylpropanoate

C16H23N3O3 — CID 174573497

IUPAC[4-(4-aminobenzoyl)piperazin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCN(C(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)15(21)22-19-10-8-18(9-11-19)14(20)12-4-6-13(17)7-5-12/h4-7H,8-11,17H2,1-3H3
InChIKeyKYILZFREBQXAOG-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.53
Rot. Bonds2

About [4-(4-aminobenzoyl)piperazin-1-yl] 2,2-dimethylpropanoate

[4-(4-aminobenzoyl)piperazin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174573497) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is [4-(4-aminobenzoyl)piperazin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-(4-aminobenzoyl)piperazin-1-yl] 2,2-dimethylpropanoate
PubChem CID174573497
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name[4-(4-aminobenzoyl)piperazin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCN(C(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)15(21)22-19-10-8-18(9-11-19)14(20)12-4-6-13(17)7-5-12/h4-7H,8-11,17H2,1-3H3
InChIKeyKYILZFREBQXAOG-UHFFFAOYSA-N
XLogP1.53
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.53
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
[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl] 2,2-dimethylpropanoate
CID 174557478
(4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;dihydrochloride
CID 119826621
(4-aminophenyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669539
(4-aminophenyl)-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone
CID 108934968
[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
tert-butyl 4-(4-aminobenzoyl)piperazine-1-carboxylate;propylphosphonic acid
CID 158541426
(4-aminophenyl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 54905926
ethyl 2-[4-(4-aminobenzoyl)piperazin-1-yl]acetate
CID 166436255
(4-aminophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 43581074
2-amino-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 119293260
tert-butyl 4-(4-aminobenzoyl)-3-methylpiperazine-1-carboxylate
CID 168509862

Frequently Asked Questions

What is the IUPAC name of [4-(4-aminobenzoyl)piperazin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-(4-aminobenzoyl)piperazin-1-yl] 2,2-dimethylpropanoate (CID 174573497) is [4-(4-aminobenzoyl)piperazin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-(4-aminobenzoyl)piperazin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-(4-aminobenzoyl)piperazin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCN(C(=O)c2ccc(N)cc2)CC1.
What is the InChIKey of [4-(4-aminobenzoyl)piperazin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is KYILZFREBQXAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-16(2,3)15(21)22-19-10-8-18(9-11-19)14(20)12-4-6-13(17)7-5-12/h4-7H,8-11,17H2,1-3H3.
What are the key properties of [4-(4-aminobenzoyl)piperazin-1-yl] 2,2-dimethylpropanoate?
[4-(4-aminobenzoyl)piperazin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 305.38 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-aminobenzoyl)piperazin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174573497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).