2-(methylamino)-1-(3-phenylpiperazin-1-yl)ethanone

C13H19N3O — CID 110479152

IUPAC2-(methylamino)-1-(3-phenylpiperazin-1-yl)ethanone
SMILESCNCC(=O)N1CCNC(c2ccccc2)C1
InChIInChI=1S/C13H19N3O/c1-14-9-13(17)16-8-7-15-12(10-16)11-5-3-2-4-6-11/h2-6,12,14-15H,7-10H2,1H3
InChIKeyRDQPAPBXGHOWJU-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.38
Rot. Bonds3

About 2-(methylamino)-1-(3-phenylpiperazin-1-yl)ethanone

2-(methylamino)-1-(3-phenylpiperazin-1-yl)ethanone (PubChem CID 110479152) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(methylamino)-1-(3-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-(3-phenylpiperazin-1-yl)ethanone
PubChem CID110479152
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(methylamino)-1-(3-phenylpiperazin-1-yl)ethanone
SMILESCNCC(=O)N1CCNC(c2ccccc2)C1
InChIInChI=1S/C13H19N3O/c1-14-9-13(17)16-8-7-15-12(10-16)11-5-3-2-4-6-11/h2-6,12,14-15H,7-10H2,1H3
InChIKeyRDQPAPBXGHOWJU-UHFFFAOYSA-N
XLogP0.38
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(methylamino)-1-(3-phenylpiperazin-1-yl)ethanone 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

Lacosamide
CID 219078
Lisdexamfetamine
CID 11597698
Remacemide Hydrochloride
CID 60510
Remacemide
CID 60511
Acetylamphetamine
CID 26660
Spm-6953
CID 10634426
1-(4-Benzhydrylpiperazin-1-yl)ethanone
CID 885644
cyclo(L-leucyl-L-phenylalanyl)
CID 7076347
N-Benzylacetamide
CID 11500
N-benzyl-2-acetamido-3-methoxypropionamide
CID 21634109
6-Amino-1-benzyl-5-(ethylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2392273
1-Methyl-3-phenylpiperazine
CID 2760009

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(3-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(methylamino)-1-(3-phenylpiperazin-1-yl)ethanone (CID 110479152) is 2-(methylamino)-1-(3-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(methylamino)-1-(3-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(methylamino)-1-(3-phenylpiperazin-1-yl)ethanone is CNCC(=O)N1CCNC(c2ccccc2)C1.
What is the InChIKey of 2-(methylamino)-1-(3-phenylpiperazin-1-yl)ethanone?
The InChIKey is RDQPAPBXGHOWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-14-9-13(17)16-8-7-15-12(10-16)11-5-3-2-4-6-11/h2-6,12,14-15H,7-10H2,1H3.
What are the key properties of 2-(methylamino)-1-(3-phenylpiperazin-1-yl)ethanone?
2-(methylamino)-1-(3-phenylpiperazin-1-yl)ethanone has a molecular weight of 233.31 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(3-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 110479152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).