(2-amino-3-methylphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone

C15H23N3O — CID 63602925

IUPAC(2-amino-3-methylphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)c2cccc(C)c2N)CCN1C
InChIInChI=1S/C15H23N3O/c1-4-12-10-18(9-8-17(12)3)15(19)13-7-5-6-11(2)14(13)16/h5-7,12H,4,8-10,16H2,1-3H3
InChIKeyMHZLNEKZMGRDHI-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.74
Rot. Bonds2

About (2-amino-3-methylphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone

(2-amino-3-methylphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone (PubChem CID 63602925) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (2-amino-3-methylphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-methylphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
PubChem CID63602925
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(2-amino-3-methylphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)c2cccc(C)c2N)CCN1C
InChIInChI=1S/C15H23N3O/c1-4-12-10-18(9-8-17(12)3)15(19)13-7-5-6-11(2)14(13)16/h5-7,12H,4,8-10,16H2,1-3H3
InChIKeyMHZLNEKZMGRDHI-UHFFFAOYSA-N
XLogP1.74
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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'}

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Related Compounds

(4-aminophenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63603575
(2-amino-3-methylphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114677500
(2-amino-3-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83217631
[2-(ethylamino)-3-pyridinyl]-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63605493
(2-amino-3-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43133107
(2,4-dibromophenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 107952420
(3-aminothiophen-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63604493
(2-bromofuran-3-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 106853961
methyl 1-(2-amino-3-methylbenzoyl)piperidine-3-carboxylate
CID 115532995
(2-amino-3-methylphenyl)-(4-sulfanylpiperidin-1-yl)methanone
CID 142233688
(2-amino-5-bromo-3-pyridinyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63605142
methyl 1-(2-amino-3-methylbenzoyl)piperidine-4-carboxylate
CID 60682146

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methylphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?
The IUPAC name of (2-amino-3-methylphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone (CID 63602925) is (2-amino-3-methylphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-amino-3-methylphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (2-amino-3-methylphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone is CCC1CN(C(=O)c2cccc(C)c2N)CCN1C.
What is the InChIKey of (2-amino-3-methylphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?
The InChIKey is MHZLNEKZMGRDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-12-10-18(9-8-17(12)3)15(19)13-7-5-6-11(2)14(13)16/h5-7,12H,4,8-10,16H2,1-3H3.
What are the key properties of (2-amino-3-methylphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?
(2-amino-3-methylphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone has a molecular weight of 261.37 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-methylphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 63602925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).