1-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpiperazine-2,5-dione

C16H21N3O2 — CID 64963539

IUPAC1-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpiperazine-2,5-dione
SMILESCN1CCC(CN2CC(=O)NC(c3ccccc3)C2=O)C1
InChIInChI=1S/C16H21N3O2/c1-18-8-7-12(9-18)10-19-11-14(20)17-15(16(19)21)13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3,(H,17,20)
InChIKeyANVBIEUNSIZGSP-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.64
Rot. Bonds3

About 1-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpiperazine-2,5-dione

1-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpiperazine-2,5-dione (PubChem CID 64963539) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpiperazine-2,5-dione
PubChem CID64963539
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpiperazine-2,5-dione
SMILESCN1CCC(CN2CC(=O)NC(c3ccccc3)C2=O)C1
InChIInChI=1S/C16H21N3O2/c1-18-8-7-12(9-18)10-19-11-14(20)17-15(16(19)21)13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3,(H,17,20)
InChIKeyANVBIEUNSIZGSP-UHFFFAOYSA-N
XLogP0.64
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpiperazine-2,5-dione?
The IUPAC name of 1-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpiperazine-2,5-dione (CID 64963539) is 1-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpiperazine-2,5-dione?
The canonical SMILES for 1-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpiperazine-2,5-dione is CN1CCC(CN2CC(=O)NC(c3ccccc3)C2=O)C1.
What is the InChIKey of 1-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpiperazine-2,5-dione?
The InChIKey is ANVBIEUNSIZGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-18-8-7-12(9-18)10-19-11-14(20)17-15(16(19)21)13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3,(H,17,20).
What are the key properties of 1-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpiperazine-2,5-dione?
1-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpiperazine-2,5-dione has a molecular weight of 287.36 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpiperazine-2,5-dione is sourced from PubChem (CID 64963539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).