1-[5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone

C20H25N3O3 — CID 120733023

IUPAC1-[5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
SMILESCOc1ccccc1C1CNCCN1C(=O)c1[nH]c(C)c(C(C)=O)c1C
InChIInChI=1S/C20H25N3O3/c1-12-18(14(3)24)13(2)22-19(12)20(25)23-10-9-21-11-16(23)15-7-5-6-8-17(15)26-4/h5-8,16,21-22H,9-11H2,1-4H3
InChIKeyPCRZRJKBFIJDKD-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.63
Rot. Bonds4

About 1-[5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone

1-[5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone (PubChem CID 120733023) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
PubChem CID120733023
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-[5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
SMILESCOc1ccccc1C1CNCCN1C(=O)c1[nH]c(C)c(C(C)=O)c1C
InChIInChI=1S/C20H25N3O3/c1-12-18(14(3)24)13(2)22-19(12)20(25)23-10-9-21-11-16(23)15-7-5-6-8-17(15)26-4/h5-8,16,21-22H,9-11H2,1-4H3
InChIKeyPCRZRJKBFIJDKD-UHFFFAOYSA-N
XLogP2.63
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 120735787
1-[2,4-dimethyl-5-(2-methylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone;hydrochloride
CID 119472352
1-[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 120740108
(2,5-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120734041
[2-(2-methoxyphenyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone
CID 120734197
[2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 120733240
(2,4-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735161
(4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733353
[2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120734744
(3,4-diethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733355
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 120734013
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 120734460

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
The IUPAC name of 1-[5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone (CID 120733023) is 1-[5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone is COc1ccccc1C1CNCCN1C(=O)c1[nH]c(C)c(C(C)=O)c1C.
What is the InChIKey of 1-[5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
The InChIKey is PCRZRJKBFIJDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-12-18(14(3)24)13(2)22-19(12)20(25)23-10-9-21-11-16(23)15-7-5-6-8-17(15)26-4/h5-8,16,21-22H,9-11H2,1-4H3.
What are the key properties of 1-[5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
1-[5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone has a molecular weight of 355.44 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone is sourced from PubChem (CID 120733023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).