N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide

C12H23N3O2 — CID 3220725

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCN(CC(N)=O)CC1
InChIInChI=1S/C12H23N3O2/c1-12(2,3)11(17)14-9-4-6-15(7-5-9)8-10(13)16/h9H,4-8H2,1-3H3,(H2,13,16)(H,14,17)
InChIKeyYEPPQMRENYKKFR-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.10
Rot. Bonds3

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide (PubChem CID 3220725) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
PubChem CID3220725
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCN(CC(N)=O)CC1
InChIInChI=1S/C12H23N3O2/c1-12(2,3)11(17)14-9-4-6-15(7-5-9)8-10(13)16/h9H,4-8H2,1-3H3,(H2,13,16)(H,14,17)
InChIKeyYEPPQMRENYKKFR-UHFFFAOYSA-N
XLogP0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide (CID 3220725) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1CCN(CC(N)=O)CC1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide?
The InChIKey is YEPPQMRENYKKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-12(2,3)11(17)14-9-4-6-15(7-5-9)8-10(13)16/h9H,4-8H2,1-3H3,(H2,13,16)(H,14,17).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide has a molecular weight of 241.33 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 3220725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).