2-[4-(4-aminobenzoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride

C15H24Cl2N4O2 — CID 119843977

IUPAC2-[4-(4-aminobenzoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
SMILESCCNC(=O)CN1CCN(C(=O)c2ccc(N)cc2)CC1.Cl.Cl
InChIInChI=1S/C15H22N4O2.2ClH/c1-2-17-14(20)11-18-7-9-19(10-8-18)15(21)12-3-5-13(16)6-4-12;;/h3-6H,2,7-11,16H2,1H3,(H,17,20);2*1H
InChIKeyJUSAGZWOOVRJQL-UHFFFAOYSA-N
MW363.29 g/mol
LogP1.01
Rot. Bonds4

About 2-[4-(4-aminobenzoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride

2-[4-(4-aminobenzoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride (PubChem CID 119843977) has the molecular formula C15H24Cl2N4O2 and a molecular weight of 363.29 g/mol. Its IUPAC name is 2-[4-(4-aminobenzoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-[4-(4-aminobenzoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
PubChem CID119843977
Molecular FormulaC15H24Cl2N4O2
Molecular Weight363.29 g/mol
Exact Mass362.13
IUPAC Name2-[4-(4-aminobenzoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
SMILESCCNC(=O)CN1CCN(C(=O)c2ccc(N)cc2)CC1.Cl.Cl
InChIInChI=1S/C15H22N4O2.2ClH/c1-2-17-14(20)11-18-7-9-19(10-8-18)15(21)12-3-5-13(16)6-4-12;;/h3-6H,2,7-11,16H2,1H3,(H,17,20);2*1H
InChIKeyJUSAGZWOOVRJQL-UHFFFAOYSA-N
XLogP1.01
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(6-aminopyridine-3-carbonyl)piperazin-1-yl]-N-ethylacetamide
CID 72857433
(4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;dihydrochloride
CID 119826621
ethyl 2-[4-(4-aminobenzoyl)piperazin-1-yl]acetate
CID 166436255
2-[4-(4-aminobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 60937139
2-[4-[4-(cyclopropylcarbamoylamino)benzoyl]piperazin-1-yl]-N-ethylacetamide
CID 55829505
1-(4-aminobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 60963126
tert-butyl 2-[4-(4-aminobenzoyl)piperazin-1-yl]acetate
CID 152732549
(4-aminophenyl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 54905926
N-ethyl-2-(4-prop-2-enoylpiperazin-1-yl)acetamide;hydrochloride
CID 173287477
2-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-N-propylacetamide;hydrochloride
CID 17420279
2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-N-methylacetamide
CID 60937478
2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide
CID 8597427

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-aminobenzoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride?
The IUPAC name of 2-[4-(4-aminobenzoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride (CID 119843977) is 2-[4-(4-aminobenzoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride.
What is the SMILES notation for 2-[4-(4-aminobenzoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride?
The canonical SMILES for 2-[4-(4-aminobenzoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride is CCNC(=O)CN1CCN(C(=O)c2ccc(N)cc2)CC1.Cl.Cl.
What is the InChIKey of 2-[4-(4-aminobenzoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride?
The InChIKey is JUSAGZWOOVRJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2.2ClH/c1-2-17-14(20)11-18-7-9-19(10-8-18)15(21)12-3-5-13(16)6-4-12;;/h3-6H,2,7-11,16H2,1H3,(H,17,20);2*1H.
What are the key properties of 2-[4-(4-aminobenzoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride?
2-[4-(4-aminobenzoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride has a molecular weight of 363.29 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-aminobenzoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride is sourced from PubChem (CID 119843977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).