tert-butyl 4-hydroxy-3-(2-oxo-4-phenylmethoxy-1-pyridinyl)piperidine-1-carboxylate

C22H28N2O5 — CID 54475582

IUPACtert-butyl 4-hydroxy-3-(2-oxo-4-phenylmethoxy-1-pyridinyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)C(n2ccc(OCc3ccccc3)cc2=O)C1
InChIInChI=1S/C22H28N2O5/c1-22(2,3)29-21(27)23-11-10-19(25)18(14-23)24-12-9-17(13-20(24)26)28-15-16-7-5-4-6-8-16/h4-9,12-13,18-19,25H,10-11,14-15H2,1-3H3
InChIKeyXLIJHVCLGCALIK-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.97
Rot. Bonds4

About tert-butyl 4-hydroxy-3-(2-oxo-4-phenylmethoxy-1-pyridinyl)piperidine-1-carboxylate

tert-butyl 4-hydroxy-3-(2-oxo-4-phenylmethoxy-1-pyridinyl)piperidine-1-carboxylate (PubChem CID 54475582) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-3-(2-oxo-4-phenylmethoxy-1-pyridinyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-3-(2-oxo-4-phenylmethoxy-1-pyridinyl)piperidine-1-carboxylate
PubChem CID54475582
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC Nametert-butyl 4-hydroxy-3-(2-oxo-4-phenylmethoxy-1-pyridinyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)C(n2ccc(OCc3ccccc3)cc2=O)C1
InChIInChI=1S/C22H28N2O5/c1-22(2,3)29-21(27)23-11-10-19(25)18(14-23)24-12-9-17(13-20(24)26)28-15-16-7-5-4-6-8-16/h4-9,12-13,18-19,25H,10-11,14-15H2,1-3H3
InChIKeyXLIJHVCLGCALIK-UHFFFAOYSA-N
XLogP2.97
TPSA81.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-3-(2-oxo-4-phenylmethoxy-1-pyridinyl)piperidine-1-carboxylic acid
CID 22128556
tert-butyl [4-hydroxy-3-[2-oxo-4-(3-phenylmethoxypropoxy)-1-pyridinyl]piperidin-1-yl] carbonate
CID 57132642
tert-butyl (3R,4R)-3-hydroxy-4-(4-phenylmethoxyphenyl)piperidine-1-carboxylate
CID 52910991
tert-butyl 4-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylate
CID 171082503
CID 178043404
CID 178043404
tert-butyl 2-[5-(2-oxo-4-phenylmethoxy-1-pyridinyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 24966880
tert-butyl 3-(3-phenylmethoxyphenyl)azetidine-1-carboxylate
CID 71463776
tert-butyl (3S)-3-[(5-phenylmethoxy-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 134579999
tert-butyl 3-[2,4-bis(phenylmethoxy)phenyl]azetidine-1-carboxylate
CID 67423451
tert-butyl 3-(hydroxymethyl)-4-(4-phenylmethoxyphenyl)piperazine-1-carboxylate
CID 166525697
tert-butyl 3-(4-phenylmethoxybenzoyl)piperidine-1-carboxylate
CID 164888367
tert-butyl 4-[2-[2-[2-[2-[2-[2-[2-(3-phenylmethoxyphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 171082302

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-3-(2-oxo-4-phenylmethoxy-1-pyridinyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-3-(2-oxo-4-phenylmethoxy-1-pyridinyl)piperidine-1-carboxylate (CID 54475582) is tert-butyl 4-hydroxy-3-(2-oxo-4-phenylmethoxy-1-pyridinyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-3-(2-oxo-4-phenylmethoxy-1-pyridinyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-3-(2-oxo-4-phenylmethoxy-1-pyridinyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)C(n2ccc(OCc3ccccc3)cc2=O)C1.
What is the InChIKey of tert-butyl 4-hydroxy-3-(2-oxo-4-phenylmethoxy-1-pyridinyl)piperidine-1-carboxylate?
The InChIKey is XLIJHVCLGCALIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5/c1-22(2,3)29-21(27)23-11-10-19(25)18(14-23)24-12-9-17(13-20(24)26)28-15-16-7-5-4-6-8-16/h4-9,12-13,18-19,25H,10-11,14-15H2,1-3H3.
What are the key properties of tert-butyl 4-hydroxy-3-(2-oxo-4-phenylmethoxy-1-pyridinyl)piperidine-1-carboxylate?
tert-butyl 4-hydroxy-3-(2-oxo-4-phenylmethoxy-1-pyridinyl)piperidine-1-carboxylate has a molecular weight of 400.48 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-3-(2-oxo-4-phenylmethoxy-1-pyridinyl)piperidine-1-carboxylate is sourced from PubChem (CID 54475582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).