[2-(ethylamino)-5-methylphenyl]-(4-ethylpiperazin-1-yl)methanone

C16H25N3O — CID 62510513

IUPAC[2-(ethylamino)-5-methylphenyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCNc1ccc(C)cc1C(=O)N1CCN(CC)CC1
InChIInChI=1S/C16H25N3O/c1-4-17-15-7-6-13(3)12-14(15)16(20)19-10-8-18(5-2)9-11-19/h6-7,12,17H,4-5,8-11H2,1-3H3
InChIKeyVVRATRJTGHOGAR-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.20
Rot. Bonds4

About [2-(ethylamino)-5-methylphenyl]-(4-ethylpiperazin-1-yl)methanone

[2-(ethylamino)-5-methylphenyl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 62510513) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is [2-(ethylamino)-5-methylphenyl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(ethylamino)-5-methylphenyl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID62510513
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name[2-(ethylamino)-5-methylphenyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCNc1ccc(C)cc1C(=O)N1CCN(CC)CC1
InChIInChI=1S/C16H25N3O/c1-4-17-15-7-6-13(3)12-14(15)16(20)19-10-8-18(5-2)9-11-19/h6-7,12,17H,4-5,8-11H2,1-3H3
InChIKeyVVRATRJTGHOGAR-UHFFFAOYSA-N
XLogP2.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylpiperazin-1-yl)-[5-methyl-2-(methylamino)phenyl]methanone
CID 62510512
azepan-1-yl-[2-(ethylamino)-5-methylphenyl]methanone
CID 55082793
(4-ethylpiperazin-1-yl)-(2-fluoro-4-methylphenyl)methanone
CID 70215264
[2-(ethylamino)-5-methylphenyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103538392
[2-(ethylamino)-5-methylphenyl]-(2-ethylmorpholin-4-yl)methanone
CID 62510031
[2-(ethylamino)-5-methylphenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228727
[2-(ethylamino)-5-methylphenyl]-(2-methylpyrrolidin-1-yl)methanone
CID 62510499
[5-chloro-2-(ethylamino)phenyl]-piperidin-1-ylmethanone
CID 62165220
[2-(ethylamino)-5-methylphenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102936167
[5-chloro-2-(ethylamino)phenyl]-thiomorpholin-4-ylmethanone
CID 62165244
[2-(ethylamino)-5-methylphenyl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102789262
[2-(2,4-dimethylanilino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109254064

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-5-methylphenyl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [2-(ethylamino)-5-methylphenyl]-(4-ethylpiperazin-1-yl)methanone (CID 62510513) is [2-(ethylamino)-5-methylphenyl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(ethylamino)-5-methylphenyl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(ethylamino)-5-methylphenyl]-(4-ethylpiperazin-1-yl)methanone is CCNc1ccc(C)cc1C(=O)N1CCN(CC)CC1.
What is the InChIKey of [2-(ethylamino)-5-methylphenyl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is VVRATRJTGHOGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-17-15-7-6-13(3)12-14(15)16(20)19-10-8-18(5-2)9-11-19/h6-7,12,17H,4-5,8-11H2,1-3H3.
What are the key properties of [2-(ethylamino)-5-methylphenyl]-(4-ethylpiperazin-1-yl)methanone?
[2-(ethylamino)-5-methylphenyl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 275.40 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-5-methylphenyl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 62510513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).