tert-butyl (4S)-4-(3-methoxyphenyl)-3-oxopiperidine-1-carboxylate

C17H23NO4 — CID 95566665

IUPACtert-butyl (4S)-4-(3-methoxyphenyl)-3-oxopiperidine-1-carboxylate
SMILESCOc1cccc([C@@H]2CCN(C(=O)OC(C)(C)C)CC2=O)c1
InChIInChI=1S/C17H23NO4/c1-17(2,3)22-16(20)18-9-8-14(15(19)11-18)12-6-5-7-13(10-12)21-4/h5-7,10,14H,8-9,11H2,1-4H3/t14-/m0/s1
InChIKeyOAWXZZLRKNJQJS-AWEZNQCLSA-N
MW305.37 g/mol
LogP2.99
Rot. Bonds2

About tert-butyl (4S)-4-(3-methoxyphenyl)-3-oxopiperidine-1-carboxylate

tert-butyl (4S)-4-(3-methoxyphenyl)-3-oxopiperidine-1-carboxylate (PubChem CID 95566665) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is tert-butyl (4S)-4-(3-methoxyphenyl)-3-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-(3-methoxyphenyl)-3-oxopiperidine-1-carboxylate
PubChem CID95566665
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Nametert-butyl (4S)-4-(3-methoxyphenyl)-3-oxopiperidine-1-carboxylate
SMILESCOc1cccc([C@@H]2CCN(C(=O)OC(C)(C)C)CC2=O)c1
InChIInChI=1S/C17H23NO4/c1-17(2,3)22-16(20)18-9-8-14(15(19)11-18)12-6-5-7-13(10-12)21-4/h5-7,10,14H,8-9,11H2,1-4H3/t14-/m0/s1
InChIKeyOAWXZZLRKNJQJS-AWEZNQCLSA-N
XLogP2.99
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl (4S)-4-(3-methoxyphenyl)-3-oxopiperidine-1-carboxylate 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

tert-butyl (4R)-4-(4-methoxyphenyl)-3-oxopiperidine-1-carboxylate
CID 95566612
tert-butyl 3-(3-methoxyphenyl)azetidine-1-carboxylate
CID 171716686
tert-butyl (3S,4S)-4-amino-3-(3-methoxyphenyl)piperidine-1-carboxylate
CID 99943446
tert-butyl (4R)-4-(2-methylphenyl)-3-oxopiperidine-1-carboxylate
CID 95566700
tert-butyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 51325156
tert-butyl (4S)-4-(2,3-dimethylphenyl)-3-oxopiperidine-1-carboxylate
CID 95566705
tert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
CID 15189984
tert-butyl (2S,3S)-3-hydroxy-2-(3-methoxyphenyl)piperidine-1-carboxylate
CID 11381259
tert-butyl (4S)-4-(4-fluoro-2-methylphenyl)-3-oxopiperidine-1-carboxylate
CID 95566777
tert-butyl 4-(3-methoxyanilino)piperidine-1-carboxylate
CID 22557965
(2R)-2-(3-methoxyphenyl)cyclobutan-1-one
CID 129415891
3-[3-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]phenyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 176684642

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-(3-methoxyphenyl)-3-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl (4S)-4-(3-methoxyphenyl)-3-oxopiperidine-1-carboxylate (CID 95566665) is tert-butyl (4S)-4-(3-methoxyphenyl)-3-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-(3-methoxyphenyl)-3-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-(3-methoxyphenyl)-3-oxopiperidine-1-carboxylate is COc1cccc([C@@H]2CCN(C(=O)OC(C)(C)C)CC2=O)c1.
What is the InChIKey of tert-butyl (4S)-4-(3-methoxyphenyl)-3-oxopiperidine-1-carboxylate?
The InChIKey is OAWXZZLRKNJQJS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23NO4/c1-17(2,3)22-16(20)18-9-8-14(15(19)11-18)12-6-5-7-13(10-12)21-4/h5-7,10,14H,8-9,11H2,1-4H3/t14-/m0/s1.
What are the key properties of tert-butyl (4S)-4-(3-methoxyphenyl)-3-oxopiperidine-1-carboxylate?
tert-butyl (4S)-4-(3-methoxyphenyl)-3-oxopiperidine-1-carboxylate has a molecular weight of 305.37 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-(3-methoxyphenyl)-3-oxopiperidine-1-carboxylate is sourced from PubChem (CID 95566665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).