1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1-methylpyrrolidin-2-yl)ethanone

C17H24FN3O — CID 110853309

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1-methylpyrrolidin-2-yl)ethanone
SMILESCN1CCCC1CC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FN3O/c1-19-8-2-3-16(19)13-17(22)21-11-9-20(10-12-21)15-6-4-14(18)5-7-15/h4-7,16H,2-3,8-13H2,1H3
InChIKeyCOXQPYSQYGSFBP-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.96
Rot. Bonds3

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1-methylpyrrolidin-2-yl)ethanone

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1-methylpyrrolidin-2-yl)ethanone (PubChem CID 110853309) has the molecular formula C17H24FN3O and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1-methylpyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1-methylpyrrolidin-2-yl)ethanone
PubChem CID110853309
Molecular FormulaC17H24FN3O
Molecular Weight305.40 g/mol
Exact Mass305.19
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1-methylpyrrolidin-2-yl)ethanone
SMILESCN1CCCC1CC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FN3O/c1-19-8-2-3-16(19)13-17(22)21-11-9-20(10-12-21)15-6-4-14(18)5-7-15/h4-7,16H,2-3,8-13H2,1H3
InChIKeyCOXQPYSQYGSFBP-UHFFFAOYSA-N
XLogP1.96
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1-methylpyrrolidin-2-yl)ethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1-methylpyrrolidin-2-yl)ethanone (CID 110853309) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1-methylpyrrolidin-2-yl)ethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1-methylpyrrolidin-2-yl)ethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1-methylpyrrolidin-2-yl)ethanone is CN1CCCC1CC(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1-methylpyrrolidin-2-yl)ethanone?
The InChIKey is COXQPYSQYGSFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O/c1-19-8-2-3-16(19)13-17(22)21-11-9-20(10-12-21)15-6-4-14(18)5-7-15/h4-7,16H,2-3,8-13H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1-methylpyrrolidin-2-yl)ethanone?
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1-methylpyrrolidin-2-yl)ethanone has a molecular weight of 305.40 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1-methylpyrrolidin-2-yl)ethanone is sourced from PubChem (CID 110853309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).