2-amino-1-(2,4-dimethylpiperazin-1-yl)-3-phenylpropan-1-one

C15H23N3O — CID 103814570

IUPAC2-amino-1-(2,4-dimethylpiperazin-1-yl)-3-phenylpropan-1-one
SMILESCC1CN(C)CCN1C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C15H23N3O/c1-12-11-17(2)8-9-18(12)15(19)14(16)10-13-6-4-3-5-7-13/h3-7,12,14H,8-11,16H2,1-2H3
InChIKeyHCOWLBDGCHKIPY-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.72
Rot. Bonds3

About 2-amino-1-(2,4-dimethylpiperazin-1-yl)-3-phenylpropan-1-one

2-amino-1-(2,4-dimethylpiperazin-1-yl)-3-phenylpropan-1-one (PubChem CID 103814570) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-amino-1-(2,4-dimethylpiperazin-1-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,4-dimethylpiperazin-1-yl)-3-phenylpropan-1-one
PubChem CID103814570
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-amino-1-(2,4-dimethylpiperazin-1-yl)-3-phenylpropan-1-one
SMILESCC1CN(C)CCN1C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C15H23N3O/c1-12-11-17(2)8-9-18(12)15(19)14(16)10-13-6-4-3-5-7-13/h3-7,12,14H,8-11,16H2,1-2H3
InChIKeyHCOWLBDGCHKIPY-UHFFFAOYSA-N
XLogP0.72
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-(2,4-dimethylpiperazin-1-yl)-2-phenylethanone
CID 103814599
(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
(2S)-2-amino-1-(2,4-dimethylpiperazin-1-yl)-3-(1H-indol-3-yl)propan-1-one;dihydrochloride
CID 119958095
(2R)-2-amino-1-(2,4-dimethylpiperazin-1-yl)pentan-1-one
CID 103814592
benzyl 2,4-dimethylpiperazine-1-carboxylate
CID 110707785
3-amino-4-(2,4-dimethylpiperazin-1-yl)-4-oxobutanamide
CID 103827811
1-[(2R)-2-amino-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide
CID 78984554
2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119303310
2-amino-1-(2,4-dimethylpiperazin-1-yl)propan-1-one
CID 103814595
(2S)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
CID 61148531
2-amino-1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-phenylpropan-1-one
CID 57096305
(2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide
CID 78985707

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,4-dimethylpiperazin-1-yl)-3-phenylpropan-1-one?
The IUPAC name of 2-amino-1-(2,4-dimethylpiperazin-1-yl)-3-phenylpropan-1-one (CID 103814570) is 2-amino-1-(2,4-dimethylpiperazin-1-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-(2,4-dimethylpiperazin-1-yl)-3-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-(2,4-dimethylpiperazin-1-yl)-3-phenylpropan-1-one is CC1CN(C)CCN1C(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-1-(2,4-dimethylpiperazin-1-yl)-3-phenylpropan-1-one?
The InChIKey is HCOWLBDGCHKIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-11-17(2)8-9-18(12)15(19)14(16)10-13-6-4-3-5-7-13/h3-7,12,14H,8-11,16H2,1-2H3.
What are the key properties of 2-amino-1-(2,4-dimethylpiperazin-1-yl)-3-phenylpropan-1-one?
2-amino-1-(2,4-dimethylpiperazin-1-yl)-3-phenylpropan-1-one has a molecular weight of 261.37 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,4-dimethylpiperazin-1-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 103814570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).