1-[[4-[(2-oxopyrrolidin-1-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-2-one

C14H24N4O2 — CID 773400

IUPAC1-[[4-[(2-oxopyrrolidin-1-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CN1CCN(CN2CCCC2=O)CC1
InChIInChI=1S/C14H24N4O2/c19-13-3-1-5-17(13)11-15-7-9-16(10-8-15)12-18-6-2-4-14(18)20/h1-12H2
InChIKeyQUMBVONQZWBNBG-UHFFFAOYSA-N
MW280.37 g/mol
LogP-0.24
Rot. Bonds4

About 1-[[4-[(2-oxopyrrolidin-1-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-2-one

1-[[4-[(2-oxopyrrolidin-1-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-2-one (PubChem CID 773400) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[[4-[(2-oxopyrrolidin-1-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[4-[(2-oxopyrrolidin-1-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-2-one
PubChem CID773400
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-[[4-[(2-oxopyrrolidin-1-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CN1CCN(CN2CCCC2=O)CC1
InChIInChI=1S/C14H24N4O2/c19-13-3-1-5-17(13)11-15-7-9-16(10-8-15)12-18-6-2-4-14(18)20/h1-12H2
InChIKeyQUMBVONQZWBNBG-UHFFFAOYSA-N
XLogP-0.24
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(2-oxopyrrolidin-1-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[4-[(2-oxopyrrolidin-1-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-2-one (CID 773400) is 1-[[4-[(2-oxopyrrolidin-1-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[4-[(2-oxopyrrolidin-1-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[4-[(2-oxopyrrolidin-1-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-2-one is O=C1CCCN1CN1CCN(CN2CCCC2=O)CC1.
What is the InChIKey of 1-[[4-[(2-oxopyrrolidin-1-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is QUMBVONQZWBNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c19-13-3-1-5-17(13)11-15-7-9-16(10-8-15)12-18-6-2-4-14(18)20/h1-12H2.
What are the key properties of 1-[[4-[(2-oxopyrrolidin-1-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-2-one?
1-[[4-[(2-oxopyrrolidin-1-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 280.37 g/mol, XLogP of -0.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(2-oxopyrrolidin-1-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 773400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).