3-amino-1-(4-benzoylpiperazin-1-yl)-3-methylbutan-1-one

C16H23N3O2 — CID 64678812

IUPAC3-amino-1-(4-benzoylpiperazin-1-yl)-3-methylbutan-1-one
SMILESCC(C)(N)CC(=O)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C16H23N3O2/c1-16(2,17)12-14(20)18-8-10-19(11-9-18)15(21)13-6-4-3-5-7-13/h3-7H,8-12,17H2,1-2H3
InChIKeyWGCRIOIHLHZUFD-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.10
Rot. Bonds3

About 3-amino-1-(4-benzoylpiperazin-1-yl)-3-methylbutan-1-one

3-amino-1-(4-benzoylpiperazin-1-yl)-3-methylbutan-1-one (PubChem CID 64678812) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-amino-1-(4-benzoylpiperazin-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name3-amino-1-(4-benzoylpiperazin-1-yl)-3-methylbutan-1-one
PubChem CID64678812
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-amino-1-(4-benzoylpiperazin-1-yl)-3-methylbutan-1-one
SMILESCC(C)(N)CC(=O)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C16H23N3O2/c1-16(2,17)12-14(20)18-8-10-19(11-9-18)15(21)13-6-4-3-5-7-13/h3-7H,8-12,17H2,1-2H3
InChIKeyWGCRIOIHLHZUFD-UHFFFAOYSA-N
XLogP1.10
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-phenylmethanone
CID 63341086
(4-aminopiperazin-1-yl)-phenylmethanone
CID 12554633
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
3-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutan-1-one
CID 11492360
2-amino-1-(4-benzoyl-1,4-diazepan-1-yl)-2-phenylpropan-1-one;hydrochloride
CID 120589011
3-amino-3-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 64685858
[4-[1-(2-aminopropan-2-yl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 147395489
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2560876
1-(4-benzoyl-1,4-diazepan-1-yl)-2-(4-tert-butylphenyl)sulfanylethanone
CID 78848630
3-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 64685927
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 108536427
1-(4-benzoyl-1,4-diazepan-1-yl)ethanone
CID 44603157

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-benzoylpiperazin-1-yl)-3-methylbutan-1-one?
The IUPAC name of 3-amino-1-(4-benzoylpiperazin-1-yl)-3-methylbutan-1-one (CID 64678812) is 3-amino-1-(4-benzoylpiperazin-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for 3-amino-1-(4-benzoylpiperazin-1-yl)-3-methylbutan-1-one?
The canonical SMILES for 3-amino-1-(4-benzoylpiperazin-1-yl)-3-methylbutan-1-one is CC(C)(N)CC(=O)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 3-amino-1-(4-benzoylpiperazin-1-yl)-3-methylbutan-1-one?
The InChIKey is WGCRIOIHLHZUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(2,17)12-14(20)18-8-10-19(11-9-18)15(21)13-6-4-3-5-7-13/h3-7H,8-12,17H2,1-2H3.
What are the key properties of 3-amino-1-(4-benzoylpiperazin-1-yl)-3-methylbutan-1-one?
3-amino-1-(4-benzoylpiperazin-1-yl)-3-methylbutan-1-one has a molecular weight of 289.38 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-benzoylpiperazin-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 64678812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).