5-[[2-[(cyclopropylamino)methyl]piperidin-1-yl]methyl]pyrrolidin-2-one

C14H25N3O — CID 114281794

IUPAC5-[[2-[(cyclopropylamino)methyl]piperidin-1-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCC(CN2CCCCC2CNC2CC2)N1
InChIInChI=1S/C14H25N3O/c18-14-7-6-12(16-14)10-17-8-2-1-3-13(17)9-15-11-4-5-11/h11-13,15H,1-10H2,(H,16,18)
InChIKeyRINHWXBFOILKNE-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.87
Rot. Bonds5

About 5-[[2-[(cyclopropylamino)methyl]piperidin-1-yl]methyl]pyrrolidin-2-one

5-[[2-[(cyclopropylamino)methyl]piperidin-1-yl]methyl]pyrrolidin-2-one (PubChem CID 114281794) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-[[2-[(cyclopropylamino)methyl]piperidin-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[2-[(cyclopropylamino)methyl]piperidin-1-yl]methyl]pyrrolidin-2-one
PubChem CID114281794
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name5-[[2-[(cyclopropylamino)methyl]piperidin-1-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCC(CN2CCCCC2CNC2CC2)N1
InChIInChI=1S/C14H25N3O/c18-14-7-6-12(16-14)10-17-8-2-1-3-13(17)9-15-11-4-5-11/h11-13,15H,1-10H2,(H,16,18)
InChIKeyRINHWXBFOILKNE-UHFFFAOYSA-N
XLogP0.87
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(cyclopropylamino)methyl]piperidin-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[2-[(cyclopropylamino)methyl]piperidin-1-yl]methyl]pyrrolidin-2-one (CID 114281794) is 5-[[2-[(cyclopropylamino)methyl]piperidin-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[2-[(cyclopropylamino)methyl]piperidin-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[2-[(cyclopropylamino)methyl]piperidin-1-yl]methyl]pyrrolidin-2-one is O=C1CCC(CN2CCCCC2CNC2CC2)N1.
What is the InChIKey of 5-[[2-[(cyclopropylamino)methyl]piperidin-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is RINHWXBFOILKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c18-14-7-6-12(16-14)10-17-8-2-1-3-13(17)9-15-11-4-5-11/h11-13,15H,1-10H2,(H,16,18).
What are the key properties of 5-[[2-[(cyclopropylamino)methyl]piperidin-1-yl]methyl]pyrrolidin-2-one?
5-[[2-[(cyclopropylamino)methyl]piperidin-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 251.37 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(cyclopropylamino)methyl]piperidin-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 114281794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).