ethyl 2,2-difluoro-2-[4-hydroxy-1-[(2S)-2-methoxy-2-methylbutanoyl]piperidin-4-yl]acetate

C15H25F2NO5 — CID 164634473

IUPACethyl 2,2-difluoro-2-[4-hydroxy-1-[(2S)-2-methoxy-2-methylbutanoyl]piperidin-4-yl]acetate
SMILESCCOC(=O)C(F)(F)C1(O)CCN(C(=O)[C@](C)(CC)OC)CC1
InChIInChI=1S/C15H25F2NO5/c1-5-13(3,22-4)11(19)18-9-7-14(21,8-10-18)15(16,17)12(20)23-6-2/h21H,5-10H2,1-4H3/t13-/m0/s1
InChIKeyJZJTXWNKBFGJFO-ZDUSSCGKSA-N
MW337.36 g/mol
LogP1.35
Rot. Bonds6

About ethyl 2,2-difluoro-2-[4-hydroxy-1-[(2S)-2-methoxy-2-methylbutanoyl]piperidin-4-yl]acetate

ethyl 2,2-difluoro-2-[4-hydroxy-1-[(2S)-2-methoxy-2-methylbutanoyl]piperidin-4-yl]acetate (PubChem CID 164634473) has the molecular formula C15H25F2NO5 and a molecular weight of 337.36 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-[4-hydroxy-1-[(2S)-2-methoxy-2-methylbutanoyl]piperidin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-[4-hydroxy-1-[(2S)-2-methoxy-2-methylbutanoyl]piperidin-4-yl]acetate
PubChem CID164634473
Molecular FormulaC15H25F2NO5
Molecular Weight337.36 g/mol
Exact Mass337.17
IUPAC Nameethyl 2,2-difluoro-2-[4-hydroxy-1-[(2S)-2-methoxy-2-methylbutanoyl]piperidin-4-yl]acetate
SMILESCCOC(=O)C(F)(F)C1(O)CCN(C(=O)[C@](C)(CC)OC)CC1
InChIInChI=1S/C15H25F2NO5/c1-5-13(3,22-4)11(19)18-9-7-14(21,8-10-18)15(16,17)12(20)23-6-2/h21H,5-10H2,1-4H3/t13-/m0/s1
InChIKeyJZJTXWNKBFGJFO-ZDUSSCGKSA-N
XLogP1.35
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2,2-difluoro-2-[4-hydroxy-1-[(2S)-2-methoxy-2-methylbutanoyl]piperidin-4-yl]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-[4-hydroxy-1-[(2S)-2-methoxy-2-methylbutanoyl]piperidin-4-yl]acetate?
The IUPAC name of ethyl 2,2-difluoro-2-[4-hydroxy-1-[(2S)-2-methoxy-2-methylbutanoyl]piperidin-4-yl]acetate (CID 164634473) is ethyl 2,2-difluoro-2-[4-hydroxy-1-[(2S)-2-methoxy-2-methylbutanoyl]piperidin-4-yl]acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-[4-hydroxy-1-[(2S)-2-methoxy-2-methylbutanoyl]piperidin-4-yl]acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-[4-hydroxy-1-[(2S)-2-methoxy-2-methylbutanoyl]piperidin-4-yl]acetate is CCOC(=O)C(F)(F)C1(O)CCN(C(=O)[C@](C)(CC)OC)CC1.
What is the InChIKey of ethyl 2,2-difluoro-2-[4-hydroxy-1-[(2S)-2-methoxy-2-methylbutanoyl]piperidin-4-yl]acetate?
The InChIKey is JZJTXWNKBFGJFO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25F2NO5/c1-5-13(3,22-4)11(19)18-9-7-14(21,8-10-18)15(16,17)12(20)23-6-2/h21H,5-10H2,1-4H3/t13-/m0/s1.
What are the key properties of ethyl 2,2-difluoro-2-[4-hydroxy-1-[(2S)-2-methoxy-2-methylbutanoyl]piperidin-4-yl]acetate?
ethyl 2,2-difluoro-2-[4-hydroxy-1-[(2S)-2-methoxy-2-methylbutanoyl]piperidin-4-yl]acetate has a molecular weight of 337.36 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-[4-hydroxy-1-[(2S)-2-methoxy-2-methylbutanoyl]piperidin-4-yl]acetate is sourced from PubChem (CID 164634473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).