N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide

C12H22N2O3 — CID 93040618

IUPACN-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)11(17)13-7-10(16)14-6-4-5-9(15)8-14/h9,15H,4-8H2,1-3H3,(H,13,17)/t9-/m0/s1
InChIKeyIOYWAEXXHFWKSW-VIFPVBQESA-N
MW242.32 g/mol
LogP0.13
Rot. Bonds2

About N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide

N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 93040618) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
PubChem CID93040618
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)11(17)13-7-10(16)14-6-4-5-9(15)8-14/h9,15H,4-8H2,1-3H3,(H,13,17)/t9-/m0/s1
InChIKeyIOYWAEXXHFWKSW-VIFPVBQESA-N
XLogP0.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide (CID 93040618) is N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC(=O)N1CCC[C@H](O)C1.
What is the InChIKey of N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide?
The InChIKey is IOYWAEXXHFWKSW-VIFPVBQESA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)11(17)13-7-10(16)14-6-4-5-9(15)8-14/h9,15H,4-8H2,1-3H3,(H,13,17)/t9-/m0/s1.
What are the key properties of N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide?
N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 242.32 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 93040618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).