1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride

C15H22ClN3O2 — CID 119686678

IUPAC1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
SMILESCC(C)C(=O)N1CCN(C(=O)c2cccc(N)c2)CC1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-11(2)14(19)17-6-8-18(9-7-17)15(20)12-4-3-5-13(16)10-12;/h3-5,10-11H,6-9,16H2,1-2H3;1H
InChIKeyGIDMNHDUPSYGOX-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.63
Rot. Bonds2

About 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride

1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride (PubChem CID 119686678) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
PubChem CID119686678
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
SMILESCC(C)C(=O)N1CCN(C(=O)c2cccc(N)c2)CC1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-11(2)14(19)17-6-8-18(9-7-17)15(20)12-4-3-5-13(16)10-12;/h3-5,10-11H,6-9,16H2,1-2H3;1H
InChIKeyGIDMNHDUPSYGOX-UHFFFAOYSA-N
XLogP1.63
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 19842351
(3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride
CID 119676424
1-[4-(3-aminobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 119708838
(3-aminophenyl)-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119894463
(3-aminophenyl)-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119703471
(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
(3-aminophenyl)-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119747861
(3-aminophenyl)-thiomorpholin-4-ylmethanone
CID 28786527
1-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 47047755
(3-aminophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 54904602
(3-aminophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81095901
(3-aminophenyl)-(4-ethylpiperidin-1-yl)methanone;hydrochloride
CID 119741661

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride?
The IUPAC name of 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride (CID 119686678) is 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride is CC(C)C(=O)N1CCN(C(=O)c2cccc(N)c2)CC1.Cl.
What is the InChIKey of 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride?
The InChIKey is GIDMNHDUPSYGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c1-11(2)14(19)17-6-8-18(9-7-17)15(20)12-4-3-5-13(16)10-12;/h3-5,10-11H,6-9,16H2,1-2H3;1H.
What are the key properties of 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride?
1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride is sourced from PubChem (CID 119686678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).