(3,4-dimethoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone

C15H22N2O3 — CID 63909017

IUPAC(3,4-dimethoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2C(C)CNCC2C)cc1OC
InChIInChI=1S/C15H22N2O3/c1-10-8-16-9-11(2)17(10)15(18)12-5-6-13(19-3)14(7-12)20-4/h5-7,10-11,16H,8-9H2,1-4H3
InChIKeyXOLYPTHDNVQCAM-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.53
Rot. Bonds3

About (3,4-dimethoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone

(3,4-dimethoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone (PubChem CID 63909017) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
PubChem CID63909017
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(3,4-dimethoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2C(C)CNCC2C)cc1OC
InChIInChI=1S/C15H22N2O3/c1-10-8-16-9-11(2)17(10)15(18)12-5-6-13(19-3)14(7-12)20-4/h5-7,10-11,16H,8-9H2,1-4H3
InChIKeyXOLYPTHDNVQCAM-UHFFFAOYSA-N
XLogP1.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromo-4-methoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 63909204
(2,6-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 63911962
(3,4-dimethoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone
CID 116572555
(3,4-dimethoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662312
(3,4-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428147
2,3-dihydro-1,4-benzodioxin-6-yl-(2,6-dimethylpiperazin-1-yl)methanone
CID 63909018
(3-bromo-4-methoxyphenyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 93460391
(4-butoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 63910772
(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749717
(3,5-dichlorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 63911168
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-(difluoromethoxy)-3-methoxyphenyl]methanone
CID 120657561
(2,6-dimethylpiperazin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone
CID 63909800

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone (CID 63909017) is (3,4-dimethoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone is COc1ccc(C(=O)N2C(C)CNCC2C)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone?
The InChIKey is XOLYPTHDNVQCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-8-16-9-11(2)17(10)15(18)12-5-6-13(19-3)14(7-12)20-4/h5-7,10-11,16H,8-9H2,1-4H3.
What are the key properties of (3,4-dimethoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone?
(3,4-dimethoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone has a molecular weight of 278.35 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 63909017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).