N-(2-amino-2-oxoethyl)-2,2-dimethyl-N-piperidin-3-ylbutanamide

C13H25N3O2 — CID 55103248

IUPACN-(2-amino-2-oxoethyl)-2,2-dimethyl-N-piperidin-3-ylbutanamide
SMILESCCC(C)(C)C(=O)N(CC(N)=O)C1CCCNC1
InChIInChI=1S/C13H25N3O2/c1-4-13(2,3)12(18)16(9-11(14)17)10-6-5-7-15-8-10/h10,15H,4-9H2,1-3H3,(H2,14,17)
InChIKeyAGJVNBMLZYANAX-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.49
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-2,2-dimethyl-N-piperidin-3-ylbutanamide

N-(2-amino-2-oxoethyl)-2,2-dimethyl-N-piperidin-3-ylbutanamide (PubChem CID 55103248) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2,2-dimethyl-N-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2,2-dimethyl-N-piperidin-3-ylbutanamide
PubChem CID55103248
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-(2-amino-2-oxoethyl)-2,2-dimethyl-N-piperidin-3-ylbutanamide
SMILESCCC(C)(C)C(=O)N(CC(N)=O)C1CCCNC1
InChIInChI=1S/C13H25N3O2/c1-4-13(2,3)12(18)16(9-11(14)17)10-6-5-7-15-8-10/h10,15H,4-9H2,1-3H3,(H2,14,17)
InChIKeyAGJVNBMLZYANAX-UHFFFAOYSA-N
XLogP0.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2,2-dimethyl-N-piperidin-3-ylbutanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2,2-dimethyl-N-piperidin-3-ylbutanamide (CID 55103248) is N-(2-amino-2-oxoethyl)-2,2-dimethyl-N-piperidin-3-ylbutanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2,2-dimethyl-N-piperidin-3-ylbutanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2,2-dimethyl-N-piperidin-3-ylbutanamide is CCC(C)(C)C(=O)N(CC(N)=O)C1CCCNC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2,2-dimethyl-N-piperidin-3-ylbutanamide?
The InChIKey is AGJVNBMLZYANAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-13(2,3)12(18)16(9-11(14)17)10-6-5-7-15-8-10/h10,15H,4-9H2,1-3H3,(H2,14,17).
What are the key properties of N-(2-amino-2-oxoethyl)-2,2-dimethyl-N-piperidin-3-ylbutanamide?
N-(2-amino-2-oxoethyl)-2,2-dimethyl-N-piperidin-3-ylbutanamide has a molecular weight of 255.36 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2,2-dimethyl-N-piperidin-3-ylbutanamide is sourced from PubChem (CID 55103248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).