1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone

C18H27N3O2 — CID 110803926

IUPAC1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc(CC(=O)N2CCN(C(=O)C3CCC3)CC2)c(C)n1C
InChIInChI=1S/C18H27N3O2/c1-13-11-16(14(2)19(13)3)12-17(22)20-7-9-21(10-8-20)18(23)15-5-4-6-15/h11,15H,4-10,12H2,1-3H3
InChIKeyFELIDXTTYUDLHS-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.66
Rot. Bonds3

About 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone

1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone (PubChem CID 110803926) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
PubChem CID110803926
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc(CC(=O)N2CCN(C(=O)C3CCC3)CC2)c(C)n1C
InChIInChI=1S/C18H27N3O2/c1-13-11-16(14(2)19(13)3)12-17(22)20-7-9-21(10-8-20)18(23)15-5-4-6-15/h11,15H,4-10,12H2,1-3H3
InChIKeyFELIDXTTYUDLHS-UHFFFAOYSA-N
XLogP1.66
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110801271
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(2,4,5-trimethylphenyl)ethanone
CID 110803893
2-methyl-1-[4-[2-(1,2,5-trimethylpyrrol-3-yl)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110806399
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(2,4,6-trimethylphenyl)ethanone
CID 110803872
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 110803874
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-2-(2,4-dimethylphenyl)ethanone
CID 110809402
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-2-(2,4,6-trimethylphenyl)ethanone
CID 110809409
1-(4-benzoyl-1,4-diazepan-1-yl)-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110807993
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(2,4,5-trimethylphenyl)ethanone
CID 110806605
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818726
cyclohexyl-[4-(1,2,5-trimethylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110807056
N-propyl-4-[2-(1,2,5-trimethylpyrrol-3-yl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813965

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The IUPAC name of 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone (CID 110803926) is 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone is Cc1cc(CC(=O)N2CCN(C(=O)C3CCC3)CC2)c(C)n1C.
What is the InChIKey of 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The InChIKey is FELIDXTTYUDLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13-11-16(14(2)19(13)3)12-17(22)20-7-9-21(10-8-20)18(23)15-5-4-6-15/h11,15H,4-10,12H2,1-3H3.
What are the key properties of 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone?
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone has a molecular weight of 317.43 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 110803926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).