2-(4-pyridin-2-ylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone

C15H18N4O — CID 43219792

IUPAC2-(4-pyridin-2-ylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
SMILESO=C(CN1CCN(c2ccccn2)CC1)c1ccc[nH]1
InChIInChI=1S/C15H18N4O/c20-14(13-4-3-7-16-13)12-18-8-10-19(11-9-18)15-5-1-2-6-17-15/h1-7,16H,8-12H2
InChIKeyZFWOWTSRNXNUBE-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.41
Rot. Bonds4

About 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone

2-(4-pyridin-2-ylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone (PubChem CID 43219792) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-pyridin-2-ylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
PubChem CID43219792
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-(4-pyridin-2-ylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
SMILESO=C(CN1CCN(c2ccccn2)CC1)c1ccc[nH]1
InChIInChI=1S/C15H18N4O/c20-14(13-4-3-7-16-13)12-18-8-10-19(11-9-18)15-5-1-2-6-17-15/h1-7,16H,8-12H2
InChIKeyZFWOWTSRNXNUBE-UHFFFAOYSA-N
XLogP1.41
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(1H-pyrrol-2-yl)ethanone
CID 60649956
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
1-(furan-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 43228329
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
1-(5-bromothiophen-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 43228330
1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78782292
1-piperazin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 119402906
1-(4-hydroxypiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 111446252
1-(2-phenyl-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 8548729
N-(2-hydroxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 43509569
2-(4-pyridin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone;dihydrochloride
CID 28078
1-[2-(chloromethyl)prop-2-enyl]-4-pyridin-2-ylpiperazine
CID 103067602

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone?
The IUPAC name of 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone (CID 43219792) is 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone is O=C(CN1CCN(c2ccccn2)CC1)c1ccc[nH]1.
What is the InChIKey of 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone?
The InChIKey is ZFWOWTSRNXNUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c20-14(13-4-3-7-16-13)12-18-8-10-19(11-9-18)15-5-1-2-6-17-15/h1-7,16H,8-12H2.
What are the key properties of 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone?
2-(4-pyridin-2-ylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone has a molecular weight of 270.34 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 43219792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).