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

C20H25N3O3 — CID 3241918

IUPAC1-[5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
SMILESCOc1cccc(N2CCN(C(=O)c3[nH]c(C)c(C(C)=O)c3C)CC2)c1
InChIInChI=1S/C20H25N3O3/c1-13-18(15(3)24)14(2)21-19(13)20(25)23-10-8-22(9-11-23)16-6-5-7-17(12-16)26-4/h5-7,12,21H,8-11H2,1-4H3
InChIKeySBFKBVVPAZBLPT-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.81
Rot. Bonds4

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

1-[5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone (PubChem CID 3241918) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
PubChem CID3241918
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-[5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
SMILESCOc1cccc(N2CCN(C(=O)c3[nH]c(C)c(C(C)=O)c3C)CC2)c1
InChIInChI=1S/C20H25N3O3/c1-13-18(15(3)24)14(2)21-19(13)20(25)23-10-8-22(9-11-23)16-6-5-7-17(12-16)26-4/h5-7,12,21H,8-11H2,1-4H3
InChIKeySBFKBVVPAZBLPT-UHFFFAOYSA-N
XLogP2.81
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
The IUPAC name of 1-[5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone (CID 3241918) is 1-[5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone is COc1cccc(N2CCN(C(=O)c3[nH]c(C)c(C(C)=O)c3C)CC2)c1.
What is the InChIKey of 1-[5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
The InChIKey is SBFKBVVPAZBLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13-18(15(3)24)14(2)21-19(13)20(25)23-10-8-22(9-11-23)16-6-5-7-17(12-16)26-4/h5-7,12,21H,8-11H2,1-4H3.
What are the key properties of 1-[5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
1-[5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone has a molecular weight of 355.44 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone is sourced from PubChem (CID 3241918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).