(2,6-dimethoxyphenyl)-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methanone

C21H26N2O5 — CID 113077809

IUPAC(2,6-dimethoxyphenyl)-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(OC)c(N2CCN(C(=O)c3c(OC)cccc3OC)CC2)c1
InChIInChI=1S/C21H26N2O5/c1-25-15-8-9-17(26-2)16(14-15)22-10-12-23(13-11-22)21(24)20-18(27-3)6-5-7-19(20)28-4/h5-9,14H,10-13H2,1-4H3
InChIKeyIAMPRRXTOQWRHX-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.68
Rot. Bonds6

About (2,6-dimethoxyphenyl)-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methanone

(2,6-dimethoxyphenyl)-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methanone (PubChem CID 113077809) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methanone
PubChem CID113077809
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name(2,6-dimethoxyphenyl)-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(OC)c(N2CCN(C(=O)c3c(OC)cccc3OC)CC2)c1
InChIInChI=1S/C21H26N2O5/c1-25-15-8-9-17(26-2)16(14-15)22-10-12-23(13-11-22)21(24)20-18(27-3)6-5-7-19(20)28-4/h5-9,14H,10-13H2,1-4H3
InChIKeyIAMPRRXTOQWRHX-UHFFFAOYSA-N
XLogP2.68
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113077374
[4-(2,5-dimethoxyphenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 113077801
4-(2,5-dimethoxyphenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113113504
tert-butyl 4-(2,5-dimethoxyphenyl)piperazine-1-carboxylate
CID 113077843
[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113077894
methyl 4-(2,6-dimethoxybenzoyl)piperazine-1-carboxylate
CID 110818263
(2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 668885
3-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-4-methoxy-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 46088159
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
N-cycloheptyl-4-(2,5-dimethoxyphenyl)piperazine-1-carboxamide
CID 113110606
2-(4-chlorophenyl)-1-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]ethanone
CID 113077817
4-(5-chloro-2-methoxyphenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113441

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methanone (CID 113077809) is (2,6-dimethoxyphenyl)-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methanone is COc1ccc(OC)c(N2CCN(C(=O)c3c(OC)cccc3OC)CC2)c1.
What is the InChIKey of (2,6-dimethoxyphenyl)-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is IAMPRRXTOQWRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-25-15-8-9-17(26-2)16(14-15)22-10-12-23(13-11-22)21(24)20-18(27-3)6-5-7-19(20)28-4/h5-9,14H,10-13H2,1-4H3.
What are the key properties of (2,6-dimethoxyphenyl)-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methanone?
(2,6-dimethoxyphenyl)-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 386.45 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 113077809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).