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

C14H21N3O — CID 55163246

IUPAC[3-methyl-4-(methylamino)phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCNc1ccc(C(=O)N2CCN(C)CC2)cc1C
InChIInChI=1S/C14H21N3O/c1-11-10-12(4-5-13(11)15-2)14(18)17-8-6-16(3)7-9-17/h4-5,10,15H,6-9H2,1-3H3
InChIKeyHVFWLHSTKJDNJB-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.42
Rot. Bonds2

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

[3-methyl-4-(methylamino)phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 55163246) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is [3-methyl-4-(methylamino)phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-methyl-4-(methylamino)phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID55163246
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name[3-methyl-4-(methylamino)phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCNc1ccc(C(=O)N2CCN(C)CC2)cc1C
InChIInChI=1S/C14H21N3O/c1-11-10-12(4-5-13(11)15-2)14(18)17-8-6-16(3)7-9-17/h4-5,10,15H,6-9H2,1-3H3
InChIKeyHVFWLHSTKJDNJB-UHFFFAOYSA-N
XLogP1.42
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylpiperazin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone
CID 63209664
(4-hydroxypiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone
CID 63210549
[4-[(dimethylamino)methyl]piperidin-1-yl]-[3-methyl-4-(methylamino)phenyl]methanone
CID 63214056
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-methyl-4-(methylamino)phenyl]methanone
CID 64575489
(2-methyl-1,3-dihydroisoindol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 59274108
(1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 110485510
[3-(methoxymethyl)piperidin-1-yl]-[3-methyl-4-(methylamino)phenyl]methanone
CID 106588810
azocan-1-yl-[4-(ethylamino)-3-methylphenyl]methanone
CID 63209492
(4-hydrazinyl-3-methylphenyl)-thiomorpholin-4-ylmethanone
CID 63211977
3-methyl-4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114516650
(2-ethylpiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone
CID 63210086
aziridin-1-yl-(4-bromo-3-methylphenyl)methanone
CID 131112534

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(methylamino)phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [3-methyl-4-(methylamino)phenyl]-(4-methylpiperazin-1-yl)methanone (CID 55163246) is [3-methyl-4-(methylamino)phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-methyl-4-(methylamino)phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [3-methyl-4-(methylamino)phenyl]-(4-methylpiperazin-1-yl)methanone is CNc1ccc(C(=O)N2CCN(C)CC2)cc1C.
What is the InChIKey of [3-methyl-4-(methylamino)phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is HVFWLHSTKJDNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-10-12(4-5-13(11)15-2)14(18)17-8-6-16(3)7-9-17/h4-5,10,15H,6-9H2,1-3H3.
What are the key properties of [3-methyl-4-(methylamino)phenyl]-(4-methylpiperazin-1-yl)methanone?
[3-methyl-4-(methylamino)phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 247.34 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(methylamino)phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 55163246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).