1-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-3-yl)ethanone

C11H17N3O — CID 110769100

IUPAC1-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
SMILESCN1CCN(C(=O)Cc2cc[nH]c2)CC1
InChIInChI=1S/C11H17N3O/c1-13-4-6-14(7-5-13)11(15)8-10-2-3-12-9-10/h2-3,9,12H,4-8H2,1H3
InChIKeyVOBUZTINMFBZAJ-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.33
Rot. Bonds2

About 1-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-3-yl)ethanone

1-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-3-yl)ethanone (PubChem CID 110769100) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
PubChem CID110769100
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
SMILESCN1CCN(C(=O)Cc2cc[nH]c2)CC1
InChIInChI=1S/C11H17N3O/c1-13-4-6-14(7-5-13)11(15)8-10-2-3-12-9-10/h2-3,9,12H,4-8H2,1H3
InChIKeyVOBUZTINMFBZAJ-UHFFFAOYSA-N
XLogP0.33
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-pyrrol-3-yl)-1-[4-[2-(1H-pyrrol-3-yl)acetyl]piperazin-1-yl]ethanone
CID 110815904
1-[4-[2-(1-methylpyrrol-3-yl)acetyl]piperazin-1-yl]-2-(1H-pyrrol-3-yl)ethanone
CID 110815895
1-(4-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
CID 110769091
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(1H-pyrrol-3-yl)ethanone
CID 110814857
2-(3-fluorophenyl)-1-[4-[2-(1H-pyrrol-3-yl)acetyl]piperazin-1-yl]ethanone
CID 110804316
1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-2-(1H-pyrrol-3-yl)ethanone
CID 110803186
2-(1H-pyrrol-3-yl)-1-[4-(2-thiophen-2-ylacetyl)-1,4-diazepan-1-yl]ethanone
CID 110808247
1-[4-[4-(2-methylpropyl)benzoyl]piperazin-1-yl]-2-(1H-pyrrol-3-yl)ethanone
CID 110815070
1-(3-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
CID 110769174
1-[4-[2-(2-methyl-5-propan-2-ylphenyl)acetyl]piperazin-1-yl]-2-(1H-pyrrol-3-yl)ethanone
CID 110815909
2-(3,4-dihydro-2H-chromen-6-yl)-1-[4-[2-(1H-pyrrol-3-yl)acetyl]piperazin-1-yl]ethanone
CID 110815910
1-[4-(4-propylbenzoyl)-1,4-diazepan-1-yl]-2-(1H-pyrrol-3-yl)ethanone
CID 110816610

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-3-yl)ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-3-yl)ethanone (CID 110769100) is 1-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-3-yl)ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-3-yl)ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-3-yl)ethanone is CN1CCN(C(=O)Cc2cc[nH]c2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-3-yl)ethanone?
The InChIKey is VOBUZTINMFBZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-13-4-6-14(7-5-13)11(15)8-10-2-3-12-9-10/h2-3,9,12H,4-8H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-3-yl)ethanone?
1-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-3-yl)ethanone has a molecular weight of 207.28 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-3-yl)ethanone is sourced from PubChem (CID 110769100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).