(2,6-dimethoxyphenyl)-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]methanone

C21H26N2O4 — CID 110293276

IUPAC(2,6-dimethoxyphenyl)-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
SMILESCOc1cccc(C2CN(C(=O)c3c(OC)cccc3OC)CCN2C)c1
InChIInChI=1S/C21H26N2O4/c1-22-11-12-23(14-17(22)15-7-5-8-16(13-15)25-2)21(24)20-18(26-3)9-6-10-19(20)27-4/h5-10,13,17H,11-12,14H2,1-4H3
InChIKeyNFRNMZUBBMCJBD-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.84
Rot. Bonds5

About (2,6-dimethoxyphenyl)-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]methanone

(2,6-dimethoxyphenyl)-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]methanone (PubChem CID 110293276) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
PubChem CID110293276
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name(2,6-dimethoxyphenyl)-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
SMILESCOc1cccc(C2CN(C(=O)c3c(OC)cccc3OC)CCN2C)c1
InChIInChI=1S/C21H26N2O4/c1-22-11-12-23(14-17(22)15-7-5-8-16(13-15)25-2)21(24)20-18(26-3)9-6-10-19(20)27-4/h5-10,13,17H,11-12,14H2,1-4H3
InChIKeyNFRNMZUBBMCJBD-UHFFFAOYSA-N
XLogP2.84
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2,6-dimethoxyphenyl)-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]methanone with MolForge

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Related Compounds

1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one
CID 110293250
2-cyclopropyl-1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]propan-1-one
CID 110632008
[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 110313915
(2-methoxyphenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110418480
[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110631994
1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 110354832
1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 110310547
(4-methoxy-2-pyridinyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 90652453
3-cyclopropyl-1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one
CID 110310562
3-(3-methoxyphenyl)-N,4-dimethylpiperazine-1-sulfonamide
CID 110632012
1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-5-thiophen-2-ylpentane-1,5-dione
CID 110310567
2-(3-methoxyphenyl)-1,3-dimethylimidazolidine
CID 14361742

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]methanone (CID 110293276) is (2,6-dimethoxyphenyl)-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]methanone is COc1cccc(C2CN(C(=O)c3c(OC)cccc3OC)CCN2C)c1.
What is the InChIKey of (2,6-dimethoxyphenyl)-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]methanone?
The InChIKey is NFRNMZUBBMCJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-22-11-12-23(14-17(22)15-7-5-8-16(13-15)25-2)21(24)20-18(26-3)9-6-10-19(20)27-4/h5-10,13,17H,11-12,14H2,1-4H3.
What are the key properties of (2,6-dimethoxyphenyl)-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]methanone?
(2,6-dimethoxyphenyl)-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]methanone has a molecular weight of 370.45 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 110293276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).