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

C24H34N4O2 — CID 15724502

IUPAC1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1H-pyrrol-2-yl]methyl]piperidin-2-one
SMILESCC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)[nH]2)CC1
InChIInChI=1S/C24H34N4O2/c1-19(2)30-23-8-4-3-7-22(23)27-15-13-26(14-16-27)17-20-10-11-21(25-20)18-28-12-6-5-9-24(28)29/h3-4,7-8,10-11,19,25H,5-6,9,12-18H2,1-2H3
InChIKeyDYGXCHMXCOSULO-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.64
Rot. Bonds7

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

1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1H-pyrrol-2-yl]methyl]piperidin-2-one (PubChem CID 15724502) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1H-pyrrol-2-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1H-pyrrol-2-yl]methyl]piperidin-2-one
PubChem CID15724502
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1H-pyrrol-2-yl]methyl]piperidin-2-one
SMILESCC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)[nH]2)CC1
InChIInChI=1S/C24H34N4O2/c1-19(2)30-23-8-4-3-7-22(23)27-15-13-26(14-16-27)17-20-10-11-21(25-20)18-28-12-6-5-9-24(28)29/h3-4,7-8,10-11,19,25H,5-6,9,12-18H2,1-2H3
InChIKeyDYGXCHMXCOSULO-UHFFFAOYSA-N
XLogP3.64
TPSA51.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1H-pyrrol-2-yl]methyl]piperidin-2-one?
The IUPAC name of 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1H-pyrrol-2-yl]methyl]piperidin-2-one (CID 15724502) is 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1H-pyrrol-2-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1H-pyrrol-2-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1H-pyrrol-2-yl]methyl]piperidin-2-one is CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)[nH]2)CC1.
What is the InChIKey of 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1H-pyrrol-2-yl]methyl]piperidin-2-one?
The InChIKey is DYGXCHMXCOSULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-19(2)30-23-8-4-3-7-22(23)27-15-13-26(14-16-27)17-20-10-11-21(25-20)18-28-12-6-5-9-24(28)29/h3-4,7-8,10-11,19,25H,5-6,9,12-18H2,1-2H3.
What are the key properties of 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1H-pyrrol-2-yl]methyl]piperidin-2-one?
1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1H-pyrrol-2-yl]methyl]piperidin-2-one has a molecular weight of 410.56 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1H-pyrrol-2-yl]methyl]piperidin-2-one is sourced from PubChem (CID 15724502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).