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

C17H23NO4 — CID 95566612

IUPACtert-butyl (4R)-4-(4-methoxyphenyl)-3-oxopiperidine-1-carboxylate
SMILESCOc1ccc([C@H]2CCN(C(=O)OC(C)(C)C)CC2=O)cc1
InChIInChI=1S/C17H23NO4/c1-17(2,3)22-16(20)18-10-9-14(15(19)11-18)12-5-7-13(21-4)8-6-12/h5-8,14H,9-11H2,1-4H3/t14-/m1/s1
InChIKeyKPSBJFNEZJCEKC-CQSZACIVSA-N
MW305.37 g/mol
LogP2.99
Rot. Bonds2

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

tert-butyl (4R)-4-(4-methoxyphenyl)-3-oxopiperidine-1-carboxylate (PubChem CID 95566612) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is tert-butyl (4R)-4-(4-methoxyphenyl)-3-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-(4-methoxyphenyl)-3-oxopiperidine-1-carboxylate
PubChem CID95566612
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Nametert-butyl (4R)-4-(4-methoxyphenyl)-3-oxopiperidine-1-carboxylate
SMILESCOc1ccc([C@H]2CCN(C(=O)OC(C)(C)C)CC2=O)cc1
InChIInChI=1S/C17H23NO4/c1-17(2,3)22-16(20)18-10-9-14(15(19)11-18)12-5-7-13(21-4)8-6-12/h5-8,14H,9-11H2,1-4H3/t14-/m1/s1
InChIKeyKPSBJFNEZJCEKC-CQSZACIVSA-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 (4R)-4-(4-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 (4S)-4-(3-methoxyphenyl)-3-oxopiperidine-1-carboxylate
CID 95566665
tert-butyl (4R)-4-(2-methylphenyl)-3-oxopiperidine-1-carboxylate
CID 95566700
tert-butyl 4-formyl-5-(4-methoxyphenyl)azepane-1-carboxylate
CID 175460460
tert-butyl (3S,4R)-3-amino-4-(4-methoxyphenyl)piperidine-1-carboxylate
CID 39872159
tert-butyl 7-(4-methoxyphenyl)-1,1-dioxo-1,4-thiazepane-4-carboxylate
CID 22276436
tert-butyl (4S)-4-(2,3-dimethylphenyl)-3-oxopiperidine-1-carboxylate
CID 95566705
tert-butyl (4R,5S)-4-(hydroxymethyl)-5-(4-methoxyphenyl)azepane-1-carboxylate
CID 153406776
tert-butyl (4R)-4-methyl-3-oxopiperidine-1-carboxylate
CID 97007931
tert-butyl (5S)-5-[(4-methoxyphenyl)methoxy]-3-oxoazepane-1-carboxylate
CID 129411083
tert-butyl (4R)-3-(methoxymethyl)-4-(4-methoxyphenyl)piperidine-1-carboxylate
CID 145270473
tert-butyl (4S)-4-(4-fluoro-2-methylphenyl)-3-oxopiperidine-1-carboxylate
CID 95566777
tert-butyl 4-[(Z)-2-(4-methoxyphenyl)ethenyl]piperidine-1-carboxylate
CID 134385626

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-(4-methoxyphenyl)-3-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl (4R)-4-(4-methoxyphenyl)-3-oxopiperidine-1-carboxylate (CID 95566612) is tert-butyl (4R)-4-(4-methoxyphenyl)-3-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-(4-methoxyphenyl)-3-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-(4-methoxyphenyl)-3-oxopiperidine-1-carboxylate is COc1ccc([C@H]2CCN(C(=O)OC(C)(C)C)CC2=O)cc1.
What is the InChIKey of tert-butyl (4R)-4-(4-methoxyphenyl)-3-oxopiperidine-1-carboxylate?
The InChIKey is KPSBJFNEZJCEKC-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23NO4/c1-17(2,3)22-16(20)18-10-9-14(15(19)11-18)12-5-7-13(21-4)8-6-12/h5-8,14H,9-11H2,1-4H3/t14-/m1/s1.
What are the key properties of tert-butyl (4R)-4-(4-methoxyphenyl)-3-oxopiperidine-1-carboxylate?
tert-butyl (4R)-4-(4-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 (4R)-4-(4-methoxyphenyl)-3-oxopiperidine-1-carboxylate is sourced from PubChem (CID 95566612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).