(2R)-2-(3-aminophenoxy)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one

C14H21N3O2 — CID 100616782

IUPAC(2R)-2-(3-aminophenoxy)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one
SMILESC[C@@H]1CN(C(=O)[C@@H](C)Oc2cccc(N)c2)CCN1
InChIInChI=1S/C14H21N3O2/c1-10-9-17(7-6-16-10)14(18)11(2)19-13-5-3-4-12(15)8-13/h3-5,8,10-11,16H,6-7,9,15H2,1-2H3/t10-,11-/m1/s1
InChIKeyBTDODDJIHSVXHF-GHMZBOCLSA-N
MW263.34 g/mol
LogP0.86
Rot. Bonds3

About (2R)-2-(3-aminophenoxy)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one

(2R)-2-(3-aminophenoxy)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one (PubChem CID 100616782) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2R)-2-(3-aminophenoxy)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(3-aminophenoxy)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one
PubChem CID100616782
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(2R)-2-(3-aminophenoxy)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one
SMILESC[C@@H]1CN(C(=O)[C@@H](C)Oc2cccc(N)c2)CCN1
InChIInChI=1S/C14H21N3O2/c1-10-9-17(7-6-16-10)14(18)11(2)19-13-5-3-4-12(15)8-13/h3-5,8,10-11,16H,6-7,9,15H2,1-2H3/t10-,11-/m1/s1
InChIKeyBTDODDJIHSVXHF-GHMZBOCLSA-N
XLogP0.86
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-(3-aminophenoxy)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(3-aminophenoxy)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propan-1-one
CID 100616662
2-(3-aminophenoxy)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 133164884
(2R)-2-(3-aminophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one
CID 100616621
1-(3-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone
CID 119578300
2-methyl-1-(3-methylpiperazin-1-yl)-4-phenoxybutan-1-one;hydrochloride
CID 119580316
2-(3-aminophenoxy)propanamide
CID 43115971
(4-aminophenyl) 3-methylpiperazine-1-carboxylate
CID 142786142
(2R)-1-[(3S)-3-methylpiperidin-1-yl]-2-phenoxypropan-1-one
CID 669843
2-(1-benzofuran-2-yl)-1-(3-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119578543
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(3-chlorophenoxy)propan-1-one;hydrochloride
CID 119934342
2-(3-methylbutoxy)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 119578968
1-(1,4-diazepan-1-yl)-2-phenoxypropan-1-one;hydrochloride
CID 119418324

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-aminophenoxy)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-(3-aminophenoxy)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one (CID 100616782) is (2R)-2-(3-aminophenoxy)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(3-aminophenoxy)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-(3-aminophenoxy)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one is C[C@@H]1CN(C(=O)[C@@H](C)Oc2cccc(N)c2)CCN1.
What is the InChIKey of (2R)-2-(3-aminophenoxy)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one?
The InChIKey is BTDODDJIHSVXHF-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-9-17(7-6-16-10)14(18)11(2)19-13-5-3-4-12(15)8-13/h3-5,8,10-11,16H,6-7,9,15H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of (2R)-2-(3-aminophenoxy)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one?
(2R)-2-(3-aminophenoxy)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one has a molecular weight of 263.34 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-aminophenoxy)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 100616782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).