1-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]pyrrolidin-2-one

C24H34N4O2 — CID 15724491

IUPAC1-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]pyrrolidin-2-one
SMILESCC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)n2C)CC1
InChIInChI=1S/C24H34N4O2/c1-19(2)30-23-8-5-4-7-22(23)27-15-13-26(14-16-27)17-20-10-11-21(25(20)3)18-28-12-6-9-24(28)29/h4-5,7-8,10-11,19H,6,9,12-18H2,1-3H3
InChIKeyDFWKGWAWWMFKQB-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.26
Rot. Bonds7

About 1-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]pyrrolidin-2-one

1-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]pyrrolidin-2-one (PubChem CID 15724491) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 1-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]pyrrolidin-2-one
PubChem CID15724491
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name1-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]pyrrolidin-2-one
SMILESCC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)n2C)CC1
InChIInChI=1S/C24H34N4O2/c1-19(2)30-23-8-5-4-7-22(23)27-15-13-26(14-16-27)17-20-10-11-21(25(20)3)18-28-12-6-9-24(28)29/h4-5,7-8,10-11,19H,6,9,12-18H2,1-3H3
InChIKeyDFWKGWAWWMFKQB-UHFFFAOYSA-N
XLogP3.26
TPSA40.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]pyrrolidin-2-one (CID 15724491) is 1-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]pyrrolidin-2-one is CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)n2C)CC1.
What is the InChIKey of 1-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]pyrrolidin-2-one?
The InChIKey is DFWKGWAWWMFKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-19(2)30-23-8-5-4-7-22(23)27-15-13-26(14-16-27)17-20-10-11-21(25(20)3)18-28-12-6-9-24(28)29/h4-5,7-8,10-11,19H,6,9,12-18H2,1-3H3.
What are the key properties of 1-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]pyrrolidin-2-one?
1-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]pyrrolidin-2-one has a molecular weight of 410.56 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 15724491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).