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

C22H28N2O3 — CID 165142044

IUPACtert-butyl 4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cn2ccc(-c3ccccc3)cc2=O)CC1
InChIInChI=1S/C22H28N2O3/c1-22(2,3)27-21(26)23-12-9-17(10-13-23)16-24-14-11-19(15-20(24)25)18-7-5-4-6-8-18/h4-8,11,14-15,17H,9-10,12-13,16H2,1-3H3
InChIKeyGFVRGCGMKCVHAC-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.16
Rot. Bonds3

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

tert-butyl 4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate (PubChem CID 165142044) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is tert-butyl 4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate
PubChem CID165142044
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Nametert-butyl 4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cn2ccc(-c3ccccc3)cc2=O)CC1
InChIInChI=1S/C22H28N2O3/c1-22(2,3)27-21(26)23-12-9-17(10-13-23)16-24-14-11-19(15-20(24)25)18-7-5-4-6-8-18/h4-8,11,14-15,17H,9-10,12-13,16H2,1-3H3
InChIKeyGFVRGCGMKCVHAC-UHFFFAOYSA-N
XLogP4.16
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]piperidine-1-carboxylate
CID 165142189
tert-butyl (4R)-3,3-dimethyl-4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate
CID 167460415
tert-butyl 4-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]piperidine-1-carboxylate
CID 169043353
tert-butyl 4-[[1-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate
CID 142711215
tert-butyl 4-[(6-aminoindol-1-yl)methyl]piperidine-1-carboxylate
CID 143452162
tert-butyl 10-hydroxy-10-[(2-oxo-4-phenyl-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylate
CID 151381307
tert-butyl 4-[(5-aminoindol-1-yl)methyl]piperidine-1-carboxylate
CID 68669120
tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate
CID 58041388
tert-butyl 4-[(5-nitroindol-1-yl)methyl]piperidine-1-carboxylate
CID 68669952
tert-butyl 4-phenacylpiperidine-1-carboxylate
CID 137373276
tert-butyl 4-[(2-oxo-3-phenyl-1,3-diazinan-1-yl)methyl]piperidine-1-carboxylate
CID 174334692
tert-butyl 4-[[4-[3-(1,3-dioxoisoindol-2-yl)propyl]piperazin-1-yl]methyl]piperidine-1-carboxylate
CID 171070828

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate (CID 165142044) is tert-butyl 4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Cn2ccc(-c3ccccc3)cc2=O)CC1.
What is the InChIKey of tert-butyl 4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate?
The InChIKey is GFVRGCGMKCVHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-22(2,3)27-21(26)23-12-9-17(10-13-23)16-24-14-11-19(15-20(24)25)18-7-5-4-6-8-18/h4-8,11,14-15,17H,9-10,12-13,16H2,1-3H3.
What are the key properties of tert-butyl 4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate?
tert-butyl 4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate has a molecular weight of 368.48 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 165142044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).