(3-amino-2-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone

C19H23N3O — CID 28723176

IUPAC(3-amino-2-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3cccc(N)c3C)CC2)c1
InChIInChI=1S/C19H23N3O/c1-14-5-3-6-16(13-14)21-9-11-22(12-10-21)19(23)17-7-4-8-18(20)15(17)2/h3-8,13H,9-12,20H2,1-2H3
InChIKeyVWDJKXMCHUMOLK-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.85
Rot. Bonds2

About (3-amino-2-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone

(3-amino-2-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone (PubChem CID 28723176) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is (3-amino-2-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-2-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
PubChem CID28723176
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name(3-amino-2-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3cccc(N)c3C)CC2)c1
InChIInChI=1S/C19H23N3O/c1-14-5-3-6-16(13-14)21-9-11-22(12-10-21)19(23)17-7-4-8-18(20)15(17)2/h3-8,13H,9-12,20H2,1-2H3
InChIKeyVWDJKXMCHUMOLK-UHFFFAOYSA-N
XLogP2.85
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-2-methylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 28723150
1-[4-(3-amino-2-methylbenzoyl)piperazin-1-yl]ethanone
CID 16785939
(2,4-dimethylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 18120424
[4-(3-methylphenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 27040790
(4-amino-3-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 28748715
(2,5-dimethyl-1H-pyrrol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110766171
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
(1-methylindol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 27041838
(5-bromo-2-hydroxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 27164936
2-[2-[4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]acetonitrile
CID 94805588
(1,1-dihydroxy-1-benzothiophen-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 70008490
(3-amino-2-methylphenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 61115004

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (3-amino-2-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone (CID 28723176) is (3-amino-2-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-amino-2-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-amino-2-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone is Cc1cccc(N2CCN(C(=O)c3cccc(N)c3C)CC2)c1.
What is the InChIKey of (3-amino-2-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is VWDJKXMCHUMOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14-5-3-6-16(13-14)21-9-11-22(12-10-21)19(23)17-7-4-8-18(20)15(17)2/h3-8,13H,9-12,20H2,1-2H3.
What are the key properties of (3-amino-2-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
(3-amino-2-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 309.41 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 28723176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).