3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one

C14H21N3O — CID 24701184

IUPAC3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
SMILESCN1CCN(C(=O)CC(N)c2ccccc2)CC1
InChIInChI=1S/C14H21N3O/c1-16-7-9-17(10-8-16)14(18)11-13(15)12-5-3-2-4-6-12/h2-6,13H,7-11,15H2,1H3
InChIKeyFQLUBMKVEPJNAQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.85
Rot. Bonds3

About 3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one

3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one (PubChem CID 24701184) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
PubChem CID24701184
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
SMILESCN1CCN(C(=O)CC(N)c2ccccc2)CC1
InChIInChI=1S/C14H21N3O/c1-16-7-9-17(10-8-16)14(18)11-13(15)12-5-3-2-4-6-12/h2-6,13H,7-11,15H2,1H3
InChIKeyFQLUBMKVEPJNAQ-UHFFFAOYSA-N
XLogP0.85
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[4-(2-methoxyacetyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119949477
4-(3-amino-3-phenylpropanoyl)piperazine-1-sulfonamide
CID 61041324
3-amino-3-phenyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
CID 63633887
3-amino-1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119952731
3-amino-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
CID 71897861
(3R)-3-amino-1-[4-[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 124694201
3-amino-1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 119949792
3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119952905
3-amino-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-3-phenylpropan-1-one;dihydrochloride
CID 119953711
3-amino-3-phenyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 119952779
3-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119952615
N-[3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 78773774

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one?
The IUPAC name of 3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one (CID 24701184) is 3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one?
The canonical SMILES for 3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one is CN1CCN(C(=O)CC(N)c2ccccc2)CC1.
What is the InChIKey of 3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one?
The InChIKey is FQLUBMKVEPJNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16-7-9-17(10-8-16)14(18)11-13(15)12-5-3-2-4-6-12/h2-6,13H,7-11,15H2,1H3.
What are the key properties of 3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one?
3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one has a molecular weight of 247.34 g/mol, XLogP of 0.85, 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-methylpiperazin-1-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 24701184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).