(4-ethylpiperazin-1-yl)-[5-methyl-2-(methylamino)phenyl]methanone

C15H23N3O — CID 62510512

IUPAC(4-ethylpiperazin-1-yl)-[5-methyl-2-(methylamino)phenyl]methanone
SMILESCCN1CCN(C(=O)c2cc(C)ccc2NC)CC1
InChIInChI=1S/C15H23N3O/c1-4-17-7-9-18(10-8-17)15(19)13-11-12(2)5-6-14(13)16-3/h5-6,11,16H,4,7-10H2,1-3H3
InChIKeyGFAQZICQGRHXGT-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.81
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-[5-methyl-2-(methylamino)phenyl]methanone

(4-ethylpiperazin-1-yl)-[5-methyl-2-(methylamino)phenyl]methanone (PubChem CID 62510512) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[5-methyl-2-(methylamino)phenyl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[5-methyl-2-(methylamino)phenyl]methanone
PubChem CID62510512
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(4-ethylpiperazin-1-yl)-[5-methyl-2-(methylamino)phenyl]methanone
SMILESCCN1CCN(C(=O)c2cc(C)ccc2NC)CC1
InChIInChI=1S/C15H23N3O/c1-4-17-7-9-18(10-8-17)15(19)13-11-12(2)5-6-14(13)16-3/h5-6,11,16H,4,7-10H2,1-3H3
InChIKeyGFAQZICQGRHXGT-UHFFFAOYSA-N
XLogP1.81
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(ethylamino)-5-methylphenyl]-(4-ethylpiperazin-1-yl)methanone
CID 62510513
(4-ethylpiperazin-1-yl)-(2-fluoro-4-methylphenyl)methanone
CID 70215264
[5-methyl-2-(methylamino)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103502265
(1,1-dioxo-1,4-thiazinan-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone
CID 62509511
(4-ethylpiperazin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone
CID 63209664
[5-chloro-2-(methylamino)phenyl]-(4-propylpiperazin-1-yl)methanone
CID 62171773
azepan-1-yl-[2-(ethylamino)-5-methylphenyl]methanone
CID 55082793
[5-methyl-2-(methylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66370710
[2-(2,4-dimethylanilino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109254064
(4-ethyl-3-methylpiperazin-1-yl)-(2-hydrazinyl-5-methylphenyl)methanone
CID 63603579
ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone
CID 143519775
(2-fluoro-5-methylphenyl)-(4-propylpiperazin-1-yl)methanone
CID 62508835

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[5-methyl-2-(methylamino)phenyl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[5-methyl-2-(methylamino)phenyl]methanone (CID 62510512) is (4-ethylpiperazin-1-yl)-[5-methyl-2-(methylamino)phenyl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[5-methyl-2-(methylamino)phenyl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[5-methyl-2-(methylamino)phenyl]methanone is CCN1CCN(C(=O)c2cc(C)ccc2NC)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[5-methyl-2-(methylamino)phenyl]methanone?
The InChIKey is GFAQZICQGRHXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-17-7-9-18(10-8-17)15(19)13-11-12(2)5-6-14(13)16-3/h5-6,11,16H,4,7-10H2,1-3H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[5-methyl-2-(methylamino)phenyl]methanone?
(4-ethylpiperazin-1-yl)-[5-methyl-2-(methylamino)phenyl]methanone has a molecular weight of 261.37 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[5-methyl-2-(methylamino)phenyl]methanone is sourced from PubChem (CID 62510512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).