3-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one

C17H24N4O2 — CID 119783870

IUPAC3-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one
SMILESCNCC(=O)N1CCN(C2CCN(c3ccccc3)C2=O)CC1
InChIInChI=1S/C17H24N4O2/c1-18-13-16(22)20-11-9-19(10-12-20)15-7-8-21(17(15)23)14-5-3-2-4-6-14/h2-6,15,18H,7-13H2,1H3
InChIKeySJMPWCUHXXVOFS-UHFFFAOYSA-N
MW316.40 g/mol
LogP0.16
Rot. Bonds4

About 3-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one

3-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one (PubChem CID 119783870) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one
PubChem CID119783870
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name3-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one
SMILESCNCC(=O)N1CCN(C2CCN(c3ccccc3)C2=O)CC1
InChIInChI=1S/C17H24N4O2/c1-18-13-16(22)20-11-9-19(10-12-20)15-7-8-21(17(15)23)14-5-3-2-4-6-14/h2-6,15,18H,7-13H2,1H3
InChIKeySJMPWCUHXXVOFS-UHFFFAOYSA-N
XLogP0.16
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one?
The IUPAC name of 3-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one (CID 119783870) is 3-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 3-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for 3-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one is CNCC(=O)N1CCN(C2CCN(c3ccccc3)C2=O)CC1.
What is the InChIKey of 3-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one?
The InChIKey is SJMPWCUHXXVOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-18-13-16(22)20-11-9-19(10-12-20)15-7-8-21(17(15)23)14-5-3-2-4-6-14/h2-6,15,18H,7-13H2,1H3.
What are the key properties of 3-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one?
3-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one has a molecular weight of 316.40 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 119783870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).