1-[[5-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]pyrrolidin-2-one

C21H27FN4O — CID 15724496

IUPAC1-[[5-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]pyrrolidin-2-one
SMILESCn1c(CN2CCN(c3cccc(F)c3)CC2)ccc1CN1CCCC1=O
InChIInChI=1S/C21H27FN4O/c1-23-19(7-8-20(23)16-26-9-3-6-21(26)27)15-24-10-12-25(13-11-24)18-5-2-4-17(22)14-18/h2,4-5,7-8,14H,3,6,9-13,15-16H2,1H3
InChIKeyMSFQABHSNMTPKD-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.61
Rot. Bonds5

About 1-[[5-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]pyrrolidin-2-one

1-[[5-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]pyrrolidin-2-one (PubChem CID 15724496) has the molecular formula C21H27FN4O and a molecular weight of 370.47 g/mol. Its IUPAC name is 1-[[5-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[5-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]pyrrolidin-2-one
PubChem CID15724496
Molecular FormulaC21H27FN4O
Molecular Weight370.47 g/mol
Exact Mass370.22
IUPAC Name1-[[5-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]pyrrolidin-2-one
SMILESCn1c(CN2CCN(c3cccc(F)c3)CC2)ccc1CN1CCCC1=O
InChIInChI=1S/C21H27FN4O/c1-23-19(7-8-20(23)16-26-9-3-6-21(26)27)15-24-10-12-25(13-11-24)18-5-2-4-17(22)14-18/h2,4-5,7-8,14H,3,6,9-13,15-16H2,1H3
InChIKeyMSFQABHSNMTPKD-UHFFFAOYSA-N
XLogP2.61
TPSA31.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[5-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]pyrrolidin-2-one (CID 15724496) is 1-[[5-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[5-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[5-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]pyrrolidin-2-one is Cn1c(CN2CCN(c3cccc(F)c3)CC2)ccc1CN1CCCC1=O.
What is the InChIKey of 1-[[5-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]pyrrolidin-2-one?
The InChIKey is MSFQABHSNMTPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O/c1-23-19(7-8-20(23)16-26-9-3-6-21(26)27)15-24-10-12-25(13-11-24)18-5-2-4-17(22)14-18/h2,4-5,7-8,14H,3,6,9-13,15-16H2,1H3.
What are the key properties of 1-[[5-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]pyrrolidin-2-one?
1-[[5-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]pyrrolidin-2-one has a molecular weight of 370.47 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 15724496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).