tert-butyl (2S,3R)-2-methyl-6-oxo-3-phenylmethoxypiperidine-1-carboxylate

C18H25NO4 — CID 24948889

IUPACtert-butyl (2S,3R)-2-methyl-6-oxo-3-phenylmethoxypiperidine-1-carboxylate
SMILESC[C@H]1[C@H](OCc2ccccc2)CCC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H25NO4/c1-13-15(22-12-14-8-6-5-7-9-14)10-11-16(20)19(13)17(21)23-18(2,3)4/h5-9,13,15H,10-12H2,1-4H3/t13-,15+/m0/s1
InChIKeyLSNFEZJHCIEHAL-DZGCQCFKSA-N
MW319.40 g/mol
LogP3.52
Rot. Bonds3

About tert-butyl (2S,3R)-2-methyl-6-oxo-3-phenylmethoxypiperidine-1-carboxylate

tert-butyl (2S,3R)-2-methyl-6-oxo-3-phenylmethoxypiperidine-1-carboxylate (PubChem CID 24948889) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is tert-butyl (2S,3R)-2-methyl-6-oxo-3-phenylmethoxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3R)-2-methyl-6-oxo-3-phenylmethoxypiperidine-1-carboxylate
PubChem CID24948889
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Nametert-butyl (2S,3R)-2-methyl-6-oxo-3-phenylmethoxypiperidine-1-carboxylate
SMILESC[C@H]1[C@H](OCc2ccccc2)CCC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H25NO4/c1-13-15(22-12-14-8-6-5-7-9-14)10-11-16(20)19(13)17(21)23-18(2,3)4/h5-9,13,15H,10-12H2,1-4H3/t13-,15+/m0/s1
InChIKeyLSNFEZJHCIEHAL-DZGCQCFKSA-N
XLogP3.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-Diphenyl-1-propyl-1-(3,3-dimethyl-1,2-dioxypentyl)-2-piperidine carboxylate
CID 445644
1,3-Diphenylpropyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
CID 44338317
1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carboxylic acid (R)-1,3-diphenyl-propyl ester
CID 44365490
2-Benzyl 1-tert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
CID 8027482
Benzyl 6-oxo-6-(1,4,7-trioxa-10-azacyclododecan-10-yl)hexanoate
CID 3760481
Benzyl 1-(2-methoxy-2-oxoacetyl)piperidine-2-carboxylate
CID 9817974
1-(Ethoxycarbonyl)-3-methoxy-3-phenyl-2-piperidinone
CID 137301
[(1S)-1,3-diphenylpropyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
CID 57322586
1-O-tert-butyl 3-O-ethyl (3R,4R)-4-[hexyl(phenylmethoxycarbonyl)amino]piperidine-1,3-dicarboxylate
CID 44534575
(3-cyclohexyl-1-phenylpropyl) (2R)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
CID 44338316
Benzyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate
CID 44338390
1,3-diphenylpropyl (2R)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
CID 44338394

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3R)-2-methyl-6-oxo-3-phenylmethoxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3R)-2-methyl-6-oxo-3-phenylmethoxypiperidine-1-carboxylate (CID 24948889) is tert-butyl (2S,3R)-2-methyl-6-oxo-3-phenylmethoxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3R)-2-methyl-6-oxo-3-phenylmethoxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3R)-2-methyl-6-oxo-3-phenylmethoxypiperidine-1-carboxylate is C[C@H]1[C@H](OCc2ccccc2)CCC(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,3R)-2-methyl-6-oxo-3-phenylmethoxypiperidine-1-carboxylate?
The InChIKey is LSNFEZJHCIEHAL-DZGCQCFKSA-N. The full InChI is InChI=1S/C18H25NO4/c1-13-15(22-12-14-8-6-5-7-9-14)10-11-16(20)19(13)17(21)23-18(2,3)4/h5-9,13,15H,10-12H2,1-4H3/t13-,15+/m0/s1.
What are the key properties of tert-butyl (2S,3R)-2-methyl-6-oxo-3-phenylmethoxypiperidine-1-carboxylate?
tert-butyl (2S,3R)-2-methyl-6-oxo-3-phenylmethoxypiperidine-1-carboxylate has a molecular weight of 319.40 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3R)-2-methyl-6-oxo-3-phenylmethoxypiperidine-1-carboxylate is sourced from PubChem (CID 24948889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).