1-[[1-methyl-5-[(4-phenylpiperazin-1-yl)methyl]pyrrol-2-yl]methyl]pyrrolidin-2-one

C21H28N4O — CID 15724507

IUPAC1-[[1-methyl-5-[(4-phenylpiperazin-1-yl)methyl]pyrrol-2-yl]methyl]pyrrolidin-2-one
SMILESCn1c(CN2CCN(c3ccccc3)CC2)ccc1CN1CCCC1=O
InChIInChI=1S/C21H28N4O/c1-22-19(9-10-20(22)17-25-11-5-8-21(25)26)16-23-12-14-24(15-13-23)18-6-3-2-4-7-18/h2-4,6-7,9-10H,5,8,11-17H2,1H3
InChIKeyHEKIAVJEIMRPAX-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.47
Rot. Bonds5

About 1-[[1-methyl-5-[(4-phenylpiperazin-1-yl)methyl]pyrrol-2-yl]methyl]pyrrolidin-2-one

1-[[1-methyl-5-[(4-phenylpiperazin-1-yl)methyl]pyrrol-2-yl]methyl]pyrrolidin-2-one (PubChem CID 15724507) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[[1-methyl-5-[(4-phenylpiperazin-1-yl)methyl]pyrrol-2-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-methyl-5-[(4-phenylpiperazin-1-yl)methyl]pyrrol-2-yl]methyl]pyrrolidin-2-one
PubChem CID15724507
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name1-[[1-methyl-5-[(4-phenylpiperazin-1-yl)methyl]pyrrol-2-yl]methyl]pyrrolidin-2-one
SMILESCn1c(CN2CCN(c3ccccc3)CC2)ccc1CN1CCCC1=O
InChIInChI=1S/C21H28N4O/c1-22-19(9-10-20(22)17-25-11-5-8-21(25)26)16-23-12-14-24(15-13-23)18-6-3-2-4-7-18/h2-4,6-7,9-10H,5,8,11-17H2,1H3
InChIKeyHEKIAVJEIMRPAX-UHFFFAOYSA-N
XLogP2.47
TPSA31.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-methyl-5-[(4-phenylpiperazin-1-yl)methyl]pyrrol-2-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-methyl-5-[(4-phenylpiperazin-1-yl)methyl]pyrrol-2-yl]methyl]pyrrolidin-2-one (CID 15724507) is 1-[[1-methyl-5-[(4-phenylpiperazin-1-yl)methyl]pyrrol-2-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-methyl-5-[(4-phenylpiperazin-1-yl)methyl]pyrrol-2-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-methyl-5-[(4-phenylpiperazin-1-yl)methyl]pyrrol-2-yl]methyl]pyrrolidin-2-one is Cn1c(CN2CCN(c3ccccc3)CC2)ccc1CN1CCCC1=O.
What is the InChIKey of 1-[[1-methyl-5-[(4-phenylpiperazin-1-yl)methyl]pyrrol-2-yl]methyl]pyrrolidin-2-one?
The InChIKey is HEKIAVJEIMRPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-22-19(9-10-20(22)17-25-11-5-8-21(25)26)16-23-12-14-24(15-13-23)18-6-3-2-4-7-18/h2-4,6-7,9-10H,5,8,11-17H2,1H3.
What are the key properties of 1-[[1-methyl-5-[(4-phenylpiperazin-1-yl)methyl]pyrrol-2-yl]methyl]pyrrolidin-2-one?
1-[[1-methyl-5-[(4-phenylpiperazin-1-yl)methyl]pyrrol-2-yl]methyl]pyrrolidin-2-one has a molecular weight of 352.48 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-methyl-5-[(4-phenylpiperazin-1-yl)methyl]pyrrol-2-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 15724507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).