1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-pyrrol-2-yl]methyl]pyrrolidin-2-one

C21H28N4O2 — CID 15724487

IUPAC1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-pyrrol-2-yl]methyl]pyrrolidin-2-one
SMILESCOc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)[nH]2)CC1
InChIInChI=1S/C21H28N4O2/c1-27-20-6-3-2-5-19(20)24-13-11-23(12-14-24)15-17-8-9-18(22-17)16-25-10-4-7-21(25)26/h2-3,5-6,8-9,22H,4,7,10-16H2,1H3
InChIKeyKRIRDNNIESRWGA-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.47
Rot. Bonds6

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

1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-pyrrol-2-yl]methyl]pyrrolidin-2-one (PubChem CID 15724487) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-pyrrol-2-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-pyrrol-2-yl]methyl]pyrrolidin-2-one
PubChem CID15724487
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-pyrrol-2-yl]methyl]pyrrolidin-2-one
SMILESCOc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)[nH]2)CC1
InChIInChI=1S/C21H28N4O2/c1-27-20-6-3-2-5-19(20)24-13-11-23(12-14-24)15-17-8-9-18(22-17)16-25-10-4-7-21(25)26/h2-3,5-6,8-9,22H,4,7,10-16H2,1H3
InChIKeyKRIRDNNIESRWGA-UHFFFAOYSA-N
XLogP2.47
TPSA51.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.47
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-methoxyphenyl)piperazin-1-yl]methyl]-1H-pyrrol-2-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-pyrrol-2-yl]methyl]pyrrolidin-2-one (CID 15724487) is 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-pyrrol-2-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-pyrrol-2-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-pyrrol-2-yl]methyl]pyrrolidin-2-one is COc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)[nH]2)CC1.
What is the InChIKey of 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-pyrrol-2-yl]methyl]pyrrolidin-2-one?
The InChIKey is KRIRDNNIESRWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-27-20-6-3-2-5-19(20)24-13-11-23(12-14-24)15-17-8-9-18(22-17)16-25-10-4-7-21(25)26/h2-3,5-6,8-9,22H,4,7,10-16H2,1H3.
What are the key properties of 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-pyrrol-2-yl]methyl]pyrrolidin-2-one?
1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-pyrrol-2-yl]methyl]pyrrolidin-2-one has a molecular weight of 368.48 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-pyrrol-2-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 15724487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).