[2-(ethylamino)-4-methylphenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone

C17H27N3O — CID 114540317

IUPAC[2-(ethylamino)-4-methylphenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCCNc1cc(C)ccc1C(=O)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C17H27N3O/c1-6-18-16-9-12(2)7-8-15(16)17(21)20-10-13(3)19(5)14(4)11-20/h7-9,13-14,18H,6,10-11H2,1-5H3
InChIKeySDCDWXODBZDUKO-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.59
Rot. Bonds3

About [2-(ethylamino)-4-methylphenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone

[2-(ethylamino)-4-methylphenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone (PubChem CID 114540317) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is [2-(ethylamino)-4-methylphenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(ethylamino)-4-methylphenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone
PubChem CID114540317
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name[2-(ethylamino)-4-methylphenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCCNc1cc(C)ccc1C(=O)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C17H27N3O/c1-6-18-16-9-12(2)7-8-15(16)17(21)20-10-13(3)19(5)14(4)11-20/h7-9,13-14,18H,6,10-11H2,1-5H3
InChIKeySDCDWXODBZDUKO-UHFFFAOYSA-N
XLogP2.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethoxypyrrolidin-1-yl)-[2-(ethylamino)-4-methylphenyl]methanone
CID 103538537
[2-(ethylamino)-4-methylphenyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102964719
[2-(ethylamino)-4-methylphenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102936110
[2-(ethylamino)-5-methylphenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102936167
(2,4-dihydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 104873383
azepan-1-yl-[2-(ethylamino)-5-methylphenyl]methanone
CID 55082793
(3,4-dimethylpyrrolidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone
CID 79039969
(2,4-dichlorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662344
(2-methyl-5-sulfanylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 107036373
(2-fluoro-4-hydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 104873399
[2-(ethylamino)-5-methylphenyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103538392
(5-chloro-2-hydrazinylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114540969

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-4-methylphenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone?
The IUPAC name of [2-(ethylamino)-4-methylphenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone (CID 114540317) is [2-(ethylamino)-4-methylphenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(ethylamino)-4-methylphenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(ethylamino)-4-methylphenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone is CCNc1cc(C)ccc1C(=O)N1CC(C)N(C)C(C)C1.
What is the InChIKey of [2-(ethylamino)-4-methylphenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone?
The InChIKey is SDCDWXODBZDUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-6-18-16-9-12(2)7-8-15(16)17(21)20-10-13(3)19(5)14(4)11-20/h7-9,13-14,18H,6,10-11H2,1-5H3.
What are the key properties of [2-(ethylamino)-4-methylphenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone?
[2-(ethylamino)-4-methylphenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone has a molecular weight of 289.42 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-4-methylphenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 114540317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).