1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone

C15H22N2O3 — CID 93191408

IUPAC1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1ccc(C(=O)CN2CCN(C)CC2)c(OC)c1
InChIInChI=1S/C15H22N2O3/c1-16-6-8-17(9-7-16)11-14(18)13-5-4-12(19-2)10-15(13)20-3/h4-5,10H,6-9,11H2,1-3H3
InChIKeyKXVWSROBZRRMRX-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.13
Rot. Bonds5

About 1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone

1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 93191408) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID93191408
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1ccc(C(=O)CN2CCN(C)CC2)c(OC)c1
InChIInChI=1S/C15H22N2O3/c1-16-6-8-17(9-7-16)11-14(18)13-5-4-12(19-2)10-15(13)20-3/h4-5,10H,6-9,11H2,1-3H3
InChIKeyKXVWSROBZRRMRX-UHFFFAOYSA-N
XLogP1.13
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 43794429
1-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanone
CID 82050526
1-(4-methoxy-2-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93193900
2-(aziridin-1-yl)-1-(2,5-dimethoxyphenyl)ethanone
CID 94683814
1-(2,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone
CID 10836668
1-[4-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanone
CID 82886096
1-[(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine;oxalic acid
CID 171151305
2-tert-butylsulfanyl-1-(2,4-dimethoxyphenyl)ethanone
CID 60645739
2-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone
CID 13306108
1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170861732
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide
CID 788742
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide
CID 5406502

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone (CID 93191408) is 1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone is COc1ccc(C(=O)CN2CCN(C)CC2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is KXVWSROBZRRMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-16-6-8-17(9-7-16)11-14(18)13-5-4-12(19-2)10-15(13)20-3/h4-5,10H,6-9,11H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 278.35 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 93191408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).