2-(1-methylpyrrol-3-yl)-1-piperazin-1-ylethanone

C11H17N3O — CID 82283489

IUPAC2-(1-methylpyrrol-3-yl)-1-piperazin-1-ylethanone
SMILESCn1ccc(CC(=O)N2CCNCC2)c1
InChIInChI=1S/C11H17N3O/c1-13-5-2-10(9-13)8-11(15)14-6-3-12-4-7-14/h2,5,9,12H,3-4,6-8H2,1H3
InChIKeyZEYHULZDAACBDS-UHFFFAOYSA-N
MW207.28 g/mol
LogP-0.00
Rot. Bonds2

About 2-(1-methylpyrrol-3-yl)-1-piperazin-1-ylethanone

2-(1-methylpyrrol-3-yl)-1-piperazin-1-ylethanone (PubChem CID 82283489) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(1-methylpyrrol-3-yl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(1-methylpyrrol-3-yl)-1-piperazin-1-ylethanone
PubChem CID82283489
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(1-methylpyrrol-3-yl)-1-piperazin-1-ylethanone
SMILESCn1ccc(CC(=O)N2CCNCC2)c1
InChIInChI=1S/C11H17N3O/c1-13-5-2-10(9-13)8-11(15)14-6-3-12-4-7-14/h2,5,9,12H,3-4,6-8H2,1H3
InChIKeyZEYHULZDAACBDS-UHFFFAOYSA-N
XLogP-0.00
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-methylpyrrol-3-yl)-1-piperazin-1-ylpentan-1-one
CID 96676014
1-[2-(1-methylpyrrol-3-yl)acetyl]piperidin-4-one
CID 82472618
1-[4-[2-(1-methylpyrrol-3-yl)acetyl]piperazin-1-yl]-2-(1H-pyrrol-3-yl)ethanone
CID 110815895
2,2-dimethyl-1-[4-[2-(1-methylpyrrol-3-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110801545
1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-2-(1-methylpyrrol-3-yl)ethanone
CID 110804329
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1-methylpyrrol-3-yl)ethanone
CID 110768958
1-(4-benzylpiperazin-1-yl)-2-(1-methylpyrrol-3-yl)ethanone
CID 110768949
phenyl 4-[2-(1-methylpyrrol-3-yl)acetyl]piperazine-1-carboxylate
CID 110803602
1-[4-[2-(5-chlorothiophen-2-yl)acetyl]piperazin-1-yl]-2-(1-methylpyrrol-3-yl)ethanone
CID 110815872
2-(1-methylpyrrol-3-yl)-1-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 110804918
1-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrrole-3-sulfonamide
CID 60894937
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-3-yl)ethanone
CID 110768939

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrol-3-yl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(1-methylpyrrol-3-yl)-1-piperazin-1-ylethanone (CID 82283489) is 2-(1-methylpyrrol-3-yl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(1-methylpyrrol-3-yl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(1-methylpyrrol-3-yl)-1-piperazin-1-ylethanone is Cn1ccc(CC(=O)N2CCNCC2)c1.
What is the InChIKey of 2-(1-methylpyrrol-3-yl)-1-piperazin-1-ylethanone?
The InChIKey is ZEYHULZDAACBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-13-5-2-10(9-13)8-11(15)14-6-3-12-4-7-14/h2,5,9,12H,3-4,6-8H2,1H3.
What are the key properties of 2-(1-methylpyrrol-3-yl)-1-piperazin-1-ylethanone?
2-(1-methylpyrrol-3-yl)-1-piperazin-1-ylethanone has a molecular weight of 207.28 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrol-3-yl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 82283489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).