(1,5-dimethylpyrrol-2-yl)-piperazin-1-ylmethanone

C11H17N3O — CID 28788625

IUPAC(1,5-dimethylpyrrol-2-yl)-piperazin-1-ylmethanone
SMILESCc1ccc(C(=O)N2CCNCC2)n1C
InChIInChI=1S/C11H17N3O/c1-9-3-4-10(13(9)2)11(15)14-7-5-12-6-8-14/h3-4,12H,5-8H2,1-2H3
InChIKeyFZNAGSOYIAEFME-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.38
Rot. Bonds1

About (1,5-dimethylpyrrol-2-yl)-piperazin-1-ylmethanone

(1,5-dimethylpyrrol-2-yl)-piperazin-1-ylmethanone (PubChem CID 28788625) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (1,5-dimethylpyrrol-2-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(1,5-dimethylpyrrol-2-yl)-piperazin-1-ylmethanone
PubChem CID28788625
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(1,5-dimethylpyrrol-2-yl)-piperazin-1-ylmethanone
SMILESCc1ccc(C(=O)N2CCNCC2)n1C
InChIInChI=1S/C11H17N3O/c1-9-3-4-10(13(9)2)11(15)14-7-5-12-6-8-14/h3-4,12H,5-8H2,1-2H3
InChIKeyFZNAGSOYIAEFME-UHFFFAOYSA-N
XLogP0.38
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1,5-dimethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43416076
3,9-diazabicyclo[4.2.1]nonan-3-yl-(1,5-dimethylpyrrol-2-yl)methanone;hydrochloride
CID 119638645
(1,5-dimethylindol-2-yl)-piperazin-1-ylmethanone
CID 110833415
(2-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride
CID 126965683
1-(1,5-dimethylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 55228223
(2,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119402592
2-[4-(1,5-dimethylpyrrole-2-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 62824459
piperazin-1-yl-(1-propylpyrrol-2-yl)methanone
CID 43639000
(4-methyl-1H-pyrrol-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 131160128
1,4-diazepan-1-yl-(4-methyl-1H-pyrrol-3-yl)methanone
CID 119414366
(2,6-difluoro-3-methylphenyl)-piperazin-1-ylmethanone
CID 82814419
(1,2-dimethylindol-3-yl)-piperazin-1-ylmethanone
CID 82300062

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrrol-2-yl)-piperazin-1-ylmethanone?
The IUPAC name of (1,5-dimethylpyrrol-2-yl)-piperazin-1-ylmethanone (CID 28788625) is (1,5-dimethylpyrrol-2-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (1,5-dimethylpyrrol-2-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (1,5-dimethylpyrrol-2-yl)-piperazin-1-ylmethanone is Cc1ccc(C(=O)N2CCNCC2)n1C.
What is the InChIKey of (1,5-dimethylpyrrol-2-yl)-piperazin-1-ylmethanone?
The InChIKey is FZNAGSOYIAEFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9-3-4-10(13(9)2)11(15)14-7-5-12-6-8-14/h3-4,12H,5-8H2,1-2H3.
What are the key properties of (1,5-dimethylpyrrol-2-yl)-piperazin-1-ylmethanone?
(1,5-dimethylpyrrol-2-yl)-piperazin-1-ylmethanone has a molecular weight of 207.28 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrrol-2-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 28788625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).