2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(1H-pyrrol-2-yl)ethanone

C16H18ClN3O — CID 60649956

IUPAC2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(1H-pyrrol-2-yl)ethanone
SMILESO=C(CN1CCN(c2ccccc2Cl)CC1)c1ccc[nH]1
InChIInChI=1S/C16H18ClN3O/c17-13-4-1-2-6-15(13)20-10-8-19(9-11-20)12-16(21)14-5-3-7-18-14/h1-7,18H,8-12H2
InChIKeyRTDXKJQHQOSVOZ-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.67
Rot. Bonds4

About 2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(1H-pyrrol-2-yl)ethanone

2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(1H-pyrrol-2-yl)ethanone (PubChem CID 60649956) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(1H-pyrrol-2-yl)ethanone
PubChem CID60649956
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(1H-pyrrol-2-yl)ethanone
SMILESO=C(CN1CCN(c2ccccc2Cl)CC1)c1ccc[nH]1
InChIInChI=1S/C16H18ClN3O/c17-13-4-1-2-6-15(13)20-10-8-19(9-11-20)12-16(21)14-5-3-7-18-14/h1-7,18H,8-12H2
InChIKeyRTDXKJQHQOSVOZ-UHFFFAOYSA-N
XLogP2.67
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-pyridin-2-ylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 43219792
2-[4-(dimethylamino)piperidin-1-yl]-1-(1H-pyrrol-2-yl)ethanone
CID 43797318
N-(2-chlorophenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 2608315
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 55235951
2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 2464194
1-(1H-pyrrol-2-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 17445671
2-[4-(2-chlorophenyl)piperazin-1-yl]ethanethioamide
CID 43118126
2-(4,4-dimethylazepan-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 65282626
2-[4-(2-chlorophenyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 43085181
2-[3-(hydroxymethyl)azetidin-1-yl]-1-(1H-pyrrol-2-yl)ethanone
CID 71650111
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4818491
2-(3-aminopyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 62068152

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(1H-pyrrol-2-yl)ethanone?
The IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(1H-pyrrol-2-yl)ethanone (CID 60649956) is 2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(1H-pyrrol-2-yl)ethanone is O=C(CN1CCN(c2ccccc2Cl)CC1)c1ccc[nH]1.
What is the InChIKey of 2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(1H-pyrrol-2-yl)ethanone?
The InChIKey is RTDXKJQHQOSVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c17-13-4-1-2-6-15(13)20-10-8-19(9-11-20)12-16(21)14-5-3-7-18-14/h1-7,18H,8-12H2.
What are the key properties of 2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(1H-pyrrol-2-yl)ethanone?
2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(1H-pyrrol-2-yl)ethanone has a molecular weight of 303.79 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 60649956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).