(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone

C21H26N2O3 — CID 22107891

IUPAC(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1OC
InChIInChI=1S/C21H26N2O3/c1-25-19-9-8-18(16-20(19)26-2)21(24)23-14-12-22(13-15-23)11-10-17-6-4-3-5-7-17/h3-9,16H,10-15H2,1-2H3
InChIKeyUPWQKCPUOBLXET-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.70
Rot. Bonds6

About (3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone

(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone (PubChem CID 22107891) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
PubChem CID22107891
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1OC
InChIInChI=1S/C21H26N2O3/c1-25-19-9-8-18(16-20(19)26-2)21(24)23-14-12-22(13-15-23)11-10-17-6-4-3-5-7-17/h3-9,16H,10-15H2,1-2H3
InChIKeyUPWQKCPUOBLXET-UHFFFAOYSA-N
XLogP2.70
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 21275342
(3,4-dimethoxyphenyl)-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 110412036
[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 113074518
(3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 21209978
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone
CID 650859
N-benzyl-4-(3,4-dimethoxybenzoyl)piperazine-1-carboxamide
CID 110365684
[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 113074511
N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18140436
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 38198135
(3,4-dimethoxyphenyl)-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1072244
N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-methylacetamide
CID 32574099

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone (CID 22107891) is (3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is UPWQKCPUOBLXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-25-19-9-8-18(16-20(19)26-2)21(24)23-14-12-22(13-15-23)11-10-17-6-4-3-5-7-17/h3-9,16H,10-15H2,1-2H3.
What are the key properties of (3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 354.45 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 22107891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).