5-(4-benzylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one

C17H23N3O2 — CID 110687274

IUPAC5-(4-benzylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CCC1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H23N3O2/c1-18-15(7-8-16(18)21)17(22)20-11-9-19(10-12-20)13-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3
InChIKeyOMBLLCANPQKVAT-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.95
Rot. Bonds3

About 5-(4-benzylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one

5-(4-benzylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one (PubChem CID 110687274) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-(4-benzylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(4-benzylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one
PubChem CID110687274
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name5-(4-benzylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CCC1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H23N3O2/c1-18-15(7-8-16(18)21)17(22)20-11-9-19(10-12-20)13-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3
InChIKeyOMBLLCANPQKVAT-UHFFFAOYSA-N
XLogP0.95
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 110687297
5-(azepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 110387635
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 110687296
(5R)-1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 100815989
(4S)-4-(4-benzyl-1,4-diazepane-1-carbonyl)-1-methylpyrrolidin-2-one
CID 94092803
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190
1-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 46779037
(5R,6R)-6-(4-benzylpiperazine-1-carbonyl)-5-(2-fluorophenyl)-4-methylmorpholin-3-one
CID 95739747
1-(4-benzylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
CID 108504526
(4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-2-yl)methanone
CID 102776845
(5S)-1-benzyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 90675575
(4-benzylpiperazin-1-yl)-[1-(furan-2-carbonyl)piperidin-2-yl]methanone
CID 55973734

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one?
The IUPAC name of 5-(4-benzylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one (CID 110687274) is 5-(4-benzylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 5-(4-benzylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one?
The canonical SMILES for 5-(4-benzylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one is CN1C(=O)CCC1C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 5-(4-benzylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one?
The InChIKey is OMBLLCANPQKVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-18-15(7-8-16(18)21)17(22)20-11-9-19(10-12-20)13-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3.
What are the key properties of 5-(4-benzylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one?
5-(4-benzylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one has a molecular weight of 301.39 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 110687274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).