tert-butyl (4R)-3,3-dimethyl-4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate

C24H32N2O3 — CID 167460415

IUPACtert-butyl (4R)-3,3-dimethyl-4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](Cn2ccc(-c3ccccc3)cc2=O)C(C)(C)C1
InChIInChI=1S/C24H32N2O3/c1-23(2,3)29-22(28)26-14-12-20(24(4,5)17-26)16-25-13-11-19(15-21(25)27)18-9-7-6-8-10-18/h6-11,13,15,20H,12,14,16-17H2,1-5H3/t20-/m0/s1
InChIKeyTYRHDIUJOWUNFA-FQEVSTJZSA-N
MW396.53 g/mol
LogP4.80
Rot. Bonds3

About tert-butyl (4R)-3,3-dimethyl-4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate

tert-butyl (4R)-3,3-dimethyl-4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate (PubChem CID 167460415) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is tert-butyl (4R)-3,3-dimethyl-4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-3,3-dimethyl-4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate
PubChem CID167460415
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Nametert-butyl (4R)-3,3-dimethyl-4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](Cn2ccc(-c3ccccc3)cc2=O)C(C)(C)C1
InChIInChI=1S/C24H32N2O3/c1-23(2,3)29-22(28)26-14-12-20(24(4,5)17-26)16-25-13-11-19(15-21(25)27)18-9-7-6-8-10-18/h6-11,13,15,20H,12,14,16-17H2,1-5H3/t20-/m0/s1
InChIKeyTYRHDIUJOWUNFA-FQEVSTJZSA-N
XLogP4.80
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl (4R)-3,3-dimethyl-4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate
CID 165142044
1-[[1-[(4R)-4-amino-2-phenylpiperidine-1-carbonyl]-3,3-dimethylpiperidin-4-yl]methyl]-4-phenylpyridin-2-one
CID 167460489
tert-butyl 10-hydroxy-10-[(2-oxo-4-phenyl-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylate
CID 151381307
tert-butyl 4-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]piperidine-1-carboxylate
CID 165142189
tert-butyl 10-[(2-oxopyrazin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate
CID 155754445
tert-butyl 4-(benzylamino)-3,3-dimethylpiperidine-1-carboxylate
CID 68939802
tert-butyl (10S)-10-[[4-(2-methylphenyl)-6-oxopyrimidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carboxylate
CID 170560965
tert-butyl 4-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]piperidine-1-carboxylate
CID 169043353
tert-butyl (4S)-4-amino-3,3-dimethylpiperidine-1-carboxylate;hydrochloride
CID 131637058
tert-butyl 10-[[4-(2-methoxyphenyl)-6-oxopyrimidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carboxylate
CID 167460228
(3S,4R)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-3-carboxylic acid
CID 67333470
tert-butyl (4R)-3,3-dimethyl-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxylate
CID 86707892

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-3,3-dimethyl-4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (4R)-3,3-dimethyl-4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate (CID 167460415) is tert-butyl (4R)-3,3-dimethyl-4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4R)-3,3-dimethyl-4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (4R)-3,3-dimethyl-4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](Cn2ccc(-c3ccccc3)cc2=O)C(C)(C)C1.
What is the InChIKey of tert-butyl (4R)-3,3-dimethyl-4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate?
The InChIKey is TYRHDIUJOWUNFA-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-23(2,3)29-22(28)26-14-12-20(24(4,5)17-26)16-25-13-11-19(15-21(25)27)18-9-7-6-8-10-18/h6-11,13,15,20H,12,14,16-17H2,1-5H3/t20-/m0/s1.
What are the key properties of tert-butyl (4R)-3,3-dimethyl-4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate?
tert-butyl (4R)-3,3-dimethyl-4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate has a molecular weight of 396.53 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-3,3-dimethyl-4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 167460415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).