(3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

C20H24N2O2 — CID 51143320

IUPAC(3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)c1
InChIInChI=1S/C20H24N2O2/c1-15-7-8-17(13-16(15)2)20(23)22-11-9-21(10-12-22)18-5-4-6-19(14-18)24-3/h4-8,13-14H,9-12H2,1-3H3
InChIKeyODAYJMNJENDYSD-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.27
Rot. Bonds3

About (3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

(3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 51143320) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID51143320
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)c1
InChIInChI=1S/C20H24N2O2/c1-15-7-8-17(13-16(15)2)20(23)22-11-9-21(10-12-22)18-5-4-6-19(14-18)24-3/h4-8,13-14H,9-12H2,1-3H3
InChIKeyODAYJMNJENDYSD-UHFFFAOYSA-N
XLogP3.27
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110365049
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 788974
[4-(dimethylamino)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38574396
(3,4-dimethoxyphenyl)-[4-(3,4-dimethylphenyl)piperazin-1-yl]methanone
CID 991613
(3,4-dimethylphenyl)-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]methanone
CID 113079974
N-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 9372260
2-[2-methoxy-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide
CID 9089096
(5-amino-2-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 120639741
[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea
CID 31912991
[4-(2,5-dimethylphenyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 113075435
[4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 38575552
(4-cyclohexylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 46562920

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (CID 51143320) is (3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is COc1cccc(N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)c1.
What is the InChIKey of (3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is ODAYJMNJENDYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-7-8-17(13-16(15)2)20(23)22-11-9-21(10-12-22)18-5-4-6-19(14-18)24-3/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
(3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 324.42 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 51143320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).