1-[4-[4-(methylamino)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one

C14H25N3O2 — CID 90382742

IUPAC1-[4-[4-(methylamino)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one
SMILESCNC1CCN(C(=O)CCCN2CCCC2=O)CC1
InChIInChI=1S/C14H25N3O2/c1-15-12-6-10-17(11-7-12)14(19)5-3-9-16-8-2-4-13(16)18/h12,15H,2-11H2,1H3
InChIKeyJZDYXYHUSBWLRZ-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.60
Rot. Bonds5

About 1-[4-[4-(methylamino)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one

1-[4-[4-(methylamino)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one (PubChem CID 90382742) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[4-[4-(methylamino)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[4-(methylamino)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one
PubChem CID90382742
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-[4-[4-(methylamino)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one
SMILESCNC1CCN(C(=O)CCCN2CCCC2=O)CC1
InChIInChI=1S/C14H25N3O2/c1-15-12-6-10-17(11-7-12)14(19)5-3-9-16-8-2-4-13(16)18/h12,15H,2-11H2,1H3
InChIKeyJZDYXYHUSBWLRZ-UHFFFAOYSA-N
XLogP0.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(methylamino)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[4-(methylamino)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one (CID 90382742) is 1-[4-[4-(methylamino)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[4-(methylamino)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[4-(methylamino)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one is CNC1CCN(C(=O)CCCN2CCCC2=O)CC1.
What is the InChIKey of 1-[4-[4-(methylamino)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one?
The InChIKey is JZDYXYHUSBWLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-15-12-6-10-17(11-7-12)14(19)5-3-9-16-8-2-4-13(16)18/h12,15H,2-11H2,1H3.
What are the key properties of 1-[4-[4-(methylamino)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one?
1-[4-[4-(methylamino)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one has a molecular weight of 267.37 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(methylamino)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one is sourced from PubChem (CID 90382742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).