(4-ethylpiperazin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone

C15H23N3O — CID 63209664

IUPAC(4-ethylpiperazin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone
SMILESCCN1CCN(C(=O)c2ccc(NC)c(C)c2)CC1
InChIInChI=1S/C15H23N3O/c1-4-17-7-9-18(10-8-17)15(19)13-5-6-14(16-3)12(2)11-13/h5-6,11,16H,4,7-10H2,1-3H3
InChIKeyKUBLRURDMADTLC-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.81
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone

(4-ethylpiperazin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone (PubChem CID 63209664) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone
PubChem CID63209664
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(4-ethylpiperazin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone
SMILESCCN1CCN(C(=O)c2ccc(NC)c(C)c2)CC1
InChIInChI=1S/C15H23N3O/c1-4-17-7-9-18(10-8-17)15(19)13-5-6-14(16-3)12(2)11-13/h5-6,11,16H,4,7-10H2,1-3H3
InChIKeyKUBLRURDMADTLC-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

[3-methyl-4-(methylamino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 55163246
(4-hydroxypiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone
CID 63210549
(4-ethylpiperazin-1-yl)-[5-methyl-2-(methylamino)phenyl]methanone
CID 62510512
[4-[(dimethylamino)methyl]piperidin-1-yl]-[3-methyl-4-(methylamino)phenyl]methanone
CID 63214056
azocan-1-yl-[4-(ethylamino)-3-methylphenyl]methanone
CID 63209492
(2-ethylpiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone
CID 63210086
[2-(2,4-dimethylanilino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109254064
ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone
CID 143519775
N-(2,4-dimethylphenyl)-5-(4-ethylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104584
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-methyl-4-(methylamino)phenyl]methanone
CID 64575489
1,3-benzodioxol-5-yl-(4-ethylpiperazin-1-yl)methanone
CID 798684
(3-amino-4-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 39354170

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone (CID 63209664) is (4-ethylpiperazin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone is CCN1CCN(C(=O)c2ccc(NC)c(C)c2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone?
The InChIKey is KUBLRURDMADTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-17-7-9-18(10-8-17)15(19)13-5-6-14(16-3)12(2)11-13/h5-6,11,16H,4,7-10H2,1-3H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone?
(4-ethylpiperazin-1-yl)-[3-methyl-4-(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)-[3-methyl-4-(methylamino)phenyl]methanone is sourced from PubChem (CID 63209664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).