N-(2-methyl-6-oxopiperidin-3-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide

C13H21N3O2 — CID 126806486

IUPACN-(2-methyl-6-oxopiperidin-3-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCC1NC(=O)CCC1NC(=O)N1CC2CCC1C2
InChIInChI=1S/C13H21N3O2/c1-8-11(4-5-12(17)14-8)15-13(18)16-7-9-2-3-10(16)6-9/h8-11H,2-7H2,1H3,(H,14,17)(H,15,18)
InChIKeyCUFJEGKIAPXDRM-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.85
Rot. Bonds1

About N-(2-methyl-6-oxopiperidin-3-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide

N-(2-methyl-6-oxopiperidin-3-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 126806486) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2-methyl-6-oxopiperidin-3-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-6-oxopiperidin-3-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID126806486
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(2-methyl-6-oxopiperidin-3-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCC1NC(=O)CCC1NC(=O)N1CC2CCC1C2
InChIInChI=1S/C13H21N3O2/c1-8-11(4-5-12(17)14-8)15-13(18)16-7-9-2-3-10(16)6-9/h8-11H,2-7H2,1H3,(H,14,17)(H,15,18)
InChIKeyCUFJEGKIAPXDRM-UHFFFAOYSA-N
XLogP0.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-oxopiperidin-3-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(2-methyl-6-oxopiperidin-3-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide (CID 126806486) is N-(2-methyl-6-oxopiperidin-3-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(2-methyl-6-oxopiperidin-3-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(2-methyl-6-oxopiperidin-3-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide is CC1NC(=O)CCC1NC(=O)N1CC2CCC1C2.
What is the InChIKey of N-(2-methyl-6-oxopiperidin-3-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is CUFJEGKIAPXDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-8-11(4-5-12(17)14-8)15-13(18)16-7-9-2-3-10(16)6-9/h8-11H,2-7H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N-(2-methyl-6-oxopiperidin-3-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
N-(2-methyl-6-oxopiperidin-3-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-oxopiperidin-3-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 126806486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).