2-cyano-N-(1-methyl-6-oxopiperidin-3-yl)propanamide

C10H15N3O2 — CID 64669418

IUPAC2-cyano-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
SMILESCC(C#N)C(=O)NC1CCC(=O)N(C)C1
InChIInChI=1S/C10H15N3O2/c1-7(5-11)10(15)12-8-3-4-9(14)13(2)6-8/h7-8H,3-4,6H2,1-2H3,(H,12,15)
InChIKeyWRAGRWSCMUHLJX-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.12
Rot. Bonds2

About 2-cyano-N-(1-methyl-6-oxopiperidin-3-yl)propanamide

2-cyano-N-(1-methyl-6-oxopiperidin-3-yl)propanamide (PubChem CID 64669418) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-cyano-N-(1-methyl-6-oxopiperidin-3-yl)propanamide.

Molecular Properties

Compound Name2-cyano-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
PubChem CID64669418
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-cyano-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
SMILESCC(C#N)C(=O)NC1CCC(=O)N(C)C1
InChIInChI=1S/C10H15N3O2/c1-7(5-11)10(15)12-8-3-4-9(14)13(2)6-8/h7-8H,3-4,6H2,1-2H3,(H,12,15)
InChIKeyWRAGRWSCMUHLJX-UHFFFAOYSA-N
XLogP-0.12
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1-methyl-6-oxopiperidin-3-yl)propanamide?
The IUPAC name of 2-cyano-N-(1-methyl-6-oxopiperidin-3-yl)propanamide (CID 64669418) is 2-cyano-N-(1-methyl-6-oxopiperidin-3-yl)propanamide.
What is the SMILES notation for 2-cyano-N-(1-methyl-6-oxopiperidin-3-yl)propanamide?
The canonical SMILES for 2-cyano-N-(1-methyl-6-oxopiperidin-3-yl)propanamide is CC(C#N)C(=O)NC1CCC(=O)N(C)C1.
What is the InChIKey of 2-cyano-N-(1-methyl-6-oxopiperidin-3-yl)propanamide?
The InChIKey is WRAGRWSCMUHLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7(5-11)10(15)12-8-3-4-9(14)13(2)6-8/h7-8H,3-4,6H2,1-2H3,(H,12,15).
What are the key properties of 2-cyano-N-(1-methyl-6-oxopiperidin-3-yl)propanamide?
2-cyano-N-(1-methyl-6-oxopiperidin-3-yl)propanamide has a molecular weight of 209.25 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1-methyl-6-oxopiperidin-3-yl)propanamide is sourced from PubChem (CID 64669418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).