3-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one

C12H23N3O — CID 69119020

IUPAC3-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one
SMILESCC(C)N1CCC(N2CCC(N)C2=O)CC1
InChIInChI=1S/C12H23N3O/c1-9(2)14-6-3-10(4-7-14)15-8-5-11(13)12(15)16/h9-11H,3-8,13H2,1-2H3
InChIKeyFJCBBQFFNGDTIS-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.42
Rot. Bonds2

About 3-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one

3-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one (PubChem CID 69119020) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one
PubChem CID69119020
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one
SMILESCC(C)N1CCC(N2CCC(N)C2=O)CC1
InChIInChI=1S/C12H23N3O/c1-9(2)14-6-3-10(4-7-14)15-8-5-11(13)12(15)16/h9-11H,3-8,13H2,1-2H3
InChIKeyFJCBBQFFNGDTIS-UHFFFAOYSA-N
XLogP0.42
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one?
The IUPAC name of 3-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one (CID 69119020) is 3-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 3-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one is CC(C)N1CCC(N2CCC(N)C2=O)CC1.
What is the InChIKey of 3-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one?
The InChIKey is FJCBBQFFNGDTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9(2)14-6-3-10(4-7-14)15-8-5-11(13)12(15)16/h9-11H,3-8,13H2,1-2H3.
What are the key properties of 3-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one?
3-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one has a molecular weight of 225.34 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 69119020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).