2-(3-methylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone;hydrochloride

C11H18ClN3O — CID 71639358

IUPAC2-(3-methylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone;hydrochloride
SMILESCC1CN(CC(=O)c2ccc[nH]2)CCN1.Cl
InChIInChI=1S/C11H17N3O.ClH/c1-9-7-14(6-5-12-9)8-11(15)10-3-2-4-13-10;/h2-4,9,12-13H,5-8H2,1H3;1H
InChIKeyKDPYUWVLXSRNJN-UHFFFAOYSA-N
MW243.74 g/mol
LogP0.91
Rot. Bonds3

About 2-(3-methylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone;hydrochloride

2-(3-methylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone;hydrochloride (PubChem CID 71639358) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 2-(3-methylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(3-methylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone;hydrochloride
PubChem CID71639358
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name2-(3-methylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone;hydrochloride
SMILESCC1CN(CC(=O)c2ccc[nH]2)CCN1.Cl
InChIInChI=1S/C11H17N3O.ClH/c1-9-7-14(6-5-12-9)8-11(15)10-3-2-4-13-10;/h2-4,9,12-13H,5-8H2,1H3;1H
InChIKeyKDPYUWVLXSRNJN-UHFFFAOYSA-N
XLogP0.91
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone;hydrochloride?
The IUPAC name of 2-(3-methylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone;hydrochloride (CID 71639358) is 2-(3-methylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(3-methylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(3-methylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone;hydrochloride is CC1CN(CC(=O)c2ccc[nH]2)CCN1.Cl.
What is the InChIKey of 2-(3-methylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone;hydrochloride?
The InChIKey is KDPYUWVLXSRNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O.ClH/c1-9-7-14(6-5-12-9)8-11(15)10-3-2-4-13-10;/h2-4,9,12-13H,5-8H2,1H3;1H.
What are the key properties of 2-(3-methylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone;hydrochloride?
2-(3-methylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone;hydrochloride has a molecular weight of 243.74 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone;hydrochloride is sourced from PubChem (CID 71639358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).