(2R)-2-(2,5-dimethylanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one

C21H27N3O — CID 25340673

IUPAC(2R)-2-(2,5-dimethylanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCc1ccc(C)c(N[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H27N3O/c1-16-9-10-17(2)20(15-16)22-18(3)21(25)24-13-11-23(12-14-24)19-7-5-4-6-8-19/h4-10,15,18,22H,11-14H2,1-3H3/t18-/m1/s1
InChIKeyQIIGXXMJNIFIQQ-GOSISDBHSA-N
MW337.47 g/mol
LogP3.45
Rot. Bonds4

About (2R)-2-(2,5-dimethylanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one

(2R)-2-(2,5-dimethylanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 25340673) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is (2R)-2-(2,5-dimethylanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-(2,5-dimethylanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID25340673
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name(2R)-2-(2,5-dimethylanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCc1ccc(C)c(N[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H27N3O/c1-16-9-10-17(2)20(15-16)22-18(3)21(25)24-13-11-23(12-14-24)19-7-5-4-6-8-19/h4-10,15,18,22H,11-14H2,1-3H3/t18-/m1/s1
InChIKeyQIIGXXMJNIFIQQ-GOSISDBHSA-N
XLogP3.45
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(2,5-dimethylanilino)-1-(4-phenylpiperazin-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

(2S)-2-(4-chloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 25351776
N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 2558168
(2R)-2-(2,5-dimethylanilino)-1-morpholin-4-yl-2-phenylethanone
CID 51924051
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 71829787
1,1-dimethyl-3-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea
CID 110348022
3-(2,4-dimethylanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 109027051
2-(2,4-dimethylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083827
N-(2-hydroxy-5-methylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 108522782
2-(4-ethoxyanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 17449282
2-(5-bromo-2-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43806052
(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
(2R)-N-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250150

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-dimethylanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of (2R)-2-(2,5-dimethylanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one (CID 25340673) is (2R)-2-(2,5-dimethylanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-(2,5-dimethylanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-(2,5-dimethylanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one is Cc1ccc(C)c(N[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of (2R)-2-(2,5-dimethylanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is QIIGXXMJNIFIQQ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H27N3O/c1-16-9-10-17(2)20(15-16)22-18(3)21(25)24-13-11-23(12-14-24)19-7-5-4-6-8-19/h4-10,15,18,22H,11-14H2,1-3H3/t18-/m1/s1.
What are the key properties of (2R)-2-(2,5-dimethylanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one?
(2R)-2-(2,5-dimethylanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 337.47 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-dimethylanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 25340673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).