1-piperazin-1-yl-4-(1,2,5-trimethylpyrrol-3-yl)butane-1,4-dione

C15H23N3O2 — CID 98034617

IUPAC1-piperazin-1-yl-4-(1,2,5-trimethylpyrrol-3-yl)butane-1,4-dione
SMILESCc1cc(C(=O)CCC(=O)N2CCNCC2)c(C)n1C
InChIInChI=1S/C15H23N3O2/c1-11-10-13(12(2)17(11)3)14(19)4-5-15(20)18-8-6-16-7-9-18/h10,16H,4-9H2,1-3H3
InChIKeyGRHWNUXSDZAYFH-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.04
Rot. Bonds4

About 1-piperazin-1-yl-4-(1,2,5-trimethylpyrrol-3-yl)butane-1,4-dione

1-piperazin-1-yl-4-(1,2,5-trimethylpyrrol-3-yl)butane-1,4-dione (PubChem CID 98034617) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-piperazin-1-yl-4-(1,2,5-trimethylpyrrol-3-yl)butane-1,4-dione.

Molecular Properties

Compound Name1-piperazin-1-yl-4-(1,2,5-trimethylpyrrol-3-yl)butane-1,4-dione
PubChem CID98034617
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-piperazin-1-yl-4-(1,2,5-trimethylpyrrol-3-yl)butane-1,4-dione
SMILESCc1cc(C(=O)CCC(=O)N2CCNCC2)c(C)n1C
InChIInChI=1S/C15H23N3O2/c1-11-10-13(12(2)17(11)3)14(19)4-5-15(20)18-8-6-16-7-9-18/h10,16H,4-9H2,1-3H3
InChIKeyGRHWNUXSDZAYFH-UHFFFAOYSA-N
XLogP1.04
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethyl-1H-pyrrol-3-yl)-4-piperazin-1-ylbutane-1,4-dione
CID 82501364
2-[methyl(piperidin-4-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 62029794
3-phenyl-1-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 110802744
2-(4-methylphenyl)-1-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]ethanone
CID 110804247
2-methoxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 43799554
1-(1,4-diazepan-1-yl)-4-(2,4-difluorophenyl)butane-1,4-dione;hydrochloride
CID 119417912
1-piperazin-1-yl-3-pyrrol-1-ylpropan-1-one
CID 82507429
2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-1-piperazin-1-ylethanone
CID 82501377
1-(4-methoxyphenyl)-4-piperazin-1-ylbutane-1,4-dione;hydrochloride
CID 119401755
1-(azepan-1-yl)-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione
CID 78782624
1-(4-chlorophenyl)-4-piperazin-1-ylbutane-1,4-dione;hydrochloride
CID 119402634
2-(1H-pyrrol-2-yl)-1-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]ethanone
CID 110815803

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-4-(1,2,5-trimethylpyrrol-3-yl)butane-1,4-dione?
The IUPAC name of 1-piperazin-1-yl-4-(1,2,5-trimethylpyrrol-3-yl)butane-1,4-dione (CID 98034617) is 1-piperazin-1-yl-4-(1,2,5-trimethylpyrrol-3-yl)butane-1,4-dione.
What is the SMILES notation for 1-piperazin-1-yl-4-(1,2,5-trimethylpyrrol-3-yl)butane-1,4-dione?
The canonical SMILES for 1-piperazin-1-yl-4-(1,2,5-trimethylpyrrol-3-yl)butane-1,4-dione is Cc1cc(C(=O)CCC(=O)N2CCNCC2)c(C)n1C.
What is the InChIKey of 1-piperazin-1-yl-4-(1,2,5-trimethylpyrrol-3-yl)butane-1,4-dione?
The InChIKey is GRHWNUXSDZAYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-10-13(12(2)17(11)3)14(19)4-5-15(20)18-8-6-16-7-9-18/h10,16H,4-9H2,1-3H3.
What are the key properties of 1-piperazin-1-yl-4-(1,2,5-trimethylpyrrol-3-yl)butane-1,4-dione?
1-piperazin-1-yl-4-(1,2,5-trimethylpyrrol-3-yl)butane-1,4-dione has a molecular weight of 277.37 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-4-(1,2,5-trimethylpyrrol-3-yl)butane-1,4-dione is sourced from PubChem (CID 98034617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).