(2-amino-5-methylphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone

C15H23N3O — CID 55249335

IUPAC(2-amino-5-methylphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
SMILESCc1ccc(N)c(C(=O)N2CCN(C)C(C)(C)C2)c1
InChIInChI=1S/C15H23N3O/c1-11-5-6-13(16)12(9-11)14(19)18-8-7-17(4)15(2,3)10-18/h5-6,9H,7-8,10,16H2,1-4H3
InChIKeyHFUGTVQILVCJJI-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.74
Rot. Bonds1

About (2-amino-5-methylphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone

(2-amino-5-methylphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone (PubChem CID 55249335) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (2-amino-5-methylphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-methylphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
PubChem CID55249335
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(2-amino-5-methylphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
SMILESCc1ccc(N)c(C(=O)N2CCN(C)C(C)(C)C2)c1
InChIInChI=1S/C15H23N3O/c1-11-5-6-13(16)12(9-11)14(19)18-8-7-17(4)15(2,3)10-18/h5-6,9H,7-8,10,16H2,1-4H3
InChIKeyHFUGTVQILVCJJI-UHFFFAOYSA-N
XLogP1.74
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-amino-5-methylphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone 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

(2,4-dibromophenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 107952423
(2-amino-5-methylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 55083080
4-(2-amino-5-methylbenzoyl)-1-methylpiperazin-2-one
CID 64682422
ethyl 4-(2-amino-5-methylbenzoyl)piperazine-1-carboxylate
CID 62075004
(2-bromo-5-sulfanylphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 107029870
4-(2-amino-5-methylbenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102888140
1-(2-amino-5-methylbenzoyl)pyrrolidine-3-carboxamide
CID 114081662
(2-amino-5-chloro-4-pyridinyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 114923574
(2-hydroxy-4-methoxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 63619887
(2-amino-5-methylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112623690
(2-bromo-5-nitrophenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 63634493
(2-amino-3-nitrophenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 115936768

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methylphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone?
The IUPAC name of (2-amino-5-methylphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone (CID 55249335) is (2-amino-5-methylphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-amino-5-methylphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for (2-amino-5-methylphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone is Cc1ccc(N)c(C(=O)N2CCN(C)C(C)(C)C2)c1.
What is the InChIKey of (2-amino-5-methylphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone?
The InChIKey is HFUGTVQILVCJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-5-6-13(16)12(9-11)14(19)18-8-7-17(4)15(2,3)10-18/h5-6,9H,7-8,10,16H2,1-4H3.
What are the key properties of (2-amino-5-methylphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone?
(2-amino-5-methylphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone has a molecular weight of 261.37 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methylphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 55249335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).