[4-(2,5-dimethylphenyl)piperazin-1-yl]-(3-methoxyphenyl)methanone

C20H24N2O2 — CID 113075435

IUPAC[4-(2,5-dimethylphenyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(c3cc(C)ccc3C)CC2)c1
InChIInChI=1S/C20H24N2O2/c1-15-7-8-16(2)19(13-15)21-9-11-22(12-10-21)20(23)17-5-4-6-18(14-17)24-3/h4-8,13-14H,9-12H2,1-3H3
InChIKeyRJJWIQZRIZCRIB-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.27
Rot. Bonds3

About [4-(2,5-dimethylphenyl)piperazin-1-yl]-(3-methoxyphenyl)methanone

[4-(2,5-dimethylphenyl)piperazin-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 113075435) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is [4-(2,5-dimethylphenyl)piperazin-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2,5-dimethylphenyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
PubChem CID113075435
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name[4-(2,5-dimethylphenyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(c3cc(C)ccc3C)CC2)c1
InChIInChI=1S/C20H24N2O2/c1-15-7-8-16(2)19(13-15)21-9-11-22(12-10-21)20(23)17-5-4-6-18(14-17)24-3/h4-8,13-14H,9-12H2,1-3H3
InChIKeyRJJWIQZRIZCRIB-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
(3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 51143320
ethyl 2-[4-(3-methoxybenzoyl)piperazin-1-yl]benzoate
CID 113080742
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
(3-ethoxyphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 17249640
(3-methoxyphenyl)-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108755288
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 4558593
2-fluoro-6-[4-(3-methoxybenzoyl)piperazin-1-yl]benzonitrile
CID 36724822
methyl 4-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-(trifluoromethyl)benzoate
CID 15429055
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
4-bromo-5-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 133303256
2-[4-(3-methoxybenzoyl)piperazin-1-yl]-5-nitrobenzonitrile
CID 36724756

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylphenyl)piperazin-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [4-(2,5-dimethylphenyl)piperazin-1-yl]-(3-methoxyphenyl)methanone (CID 113075435) is [4-(2,5-dimethylphenyl)piperazin-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [4-(2,5-dimethylphenyl)piperazin-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [4-(2,5-dimethylphenyl)piperazin-1-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCN(c3cc(C)ccc3C)CC2)c1.
What is the InChIKey of [4-(2,5-dimethylphenyl)piperazin-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is RJJWIQZRIZCRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-7-8-16(2)19(13-15)21-9-11-22(12-10-21)20(23)17-5-4-6-18(14-17)24-3/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of [4-(2,5-dimethylphenyl)piperazin-1-yl]-(3-methoxyphenyl)methanone?
[4-(2,5-dimethylphenyl)piperazin-1-yl]-(3-methoxyphenyl)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 [4-(2,5-dimethylphenyl)piperazin-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 113075435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).