[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate

C19H24N2O4 — CID 7984318

IUPAC[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)COC(=O)[C@@H](C)Oc1ccc(C#N)cc1
InChIInChI=1S/C19H24N2O4/c1-13-5-4-6-14(2)21(13)18(22)12-24-19(23)15(3)25-17-9-7-16(11-20)8-10-17/h7-10,13-15H,4-6,12H2,1-3H3/t13-,14+,15-/m1/s1
InChIKeyYIDIAAWSJWYXHR-QLFBSQMISA-N
MW344.41 g/mol
LogP2.66
Rot. Bonds5

About [2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate

[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate (PubChem CID 7984318) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is [2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate.

Molecular Properties

Compound Name[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
PubChem CID7984318
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)COC(=O)[C@@H](C)Oc1ccc(C#N)cc1
InChIInChI=1S/C19H24N2O4/c1-13-5-4-6-14(2)21(13)18(22)12-24-19(23)15(3)25-17-9-7-16(11-20)8-10-17/h7-10,13-15H,4-6,12H2,1-3H3/t13-,14+,15-/m1/s1
InChIKeyYIDIAAWSJWYXHR-QLFBSQMISA-N
XLogP2.66
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(azepan-1-yl)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7984058
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983707
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983674
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7983615
(3,3-dimethyl-2-oxobutyl) (2S)-2-(4-cyanophenoxy)propanoate
CID 7984032
3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzonitrile
CID 7964565
[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7983949
[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983820
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7984182
[2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983654
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7983637
2-(4-fluorophenoxy)ethyl (2R)-2-(4-cyanophenoxy)propanoate
CID 7977972

Frequently Asked Questions

What is the IUPAC name of [2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate?
The IUPAC name of [2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate (CID 7984318) is [2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate.
What is the SMILES notation for [2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate?
The canonical SMILES for [2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate is C[C@@H]1CCC[C@H](C)N1C(=O)COC(=O)[C@@H](C)Oc1ccc(C#N)cc1.
What is the InChIKey of [2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate?
The InChIKey is YIDIAAWSJWYXHR-QLFBSQMISA-N. The full InChI is InChI=1S/C19H24N2O4/c1-13-5-4-6-14(2)21(13)18(22)12-24-19(23)15(3)25-17-9-7-16(11-20)8-10-17/h7-10,13-15H,4-6,12H2,1-3H3/t13-,14+,15-/m1/s1.
What are the key properties of [2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate?
[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate has a molecular weight of 344.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate is sourced from PubChem (CID 7984318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).