tert-butyl 4-[(1S)-2-oxo-1-phenylselanylethyl]piperidine-1-carboxylate

C18H25NO3Se — CID 139266573

IUPACtert-butyl 4-[(1S)-2-oxo-1-phenylselanylethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC([C@@H](C=O)[Se]c2ccccc2)CC1
InChIInChI=1S/C18H25NO3Se/c1-18(2,3)22-17(21)19-11-9-14(10-12-19)16(13-20)23-15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3/t16-/m1/s1
InChIKeyIVASLJGPDRKDPB-MRXNPFEDSA-N
MW382.36 g/mol
LogP2.65
Rot. Bonds4

About tert-butyl 4-[(1S)-2-oxo-1-phenylselanylethyl]piperidine-1-carboxylate

tert-butyl 4-[(1S)-2-oxo-1-phenylselanylethyl]piperidine-1-carboxylate (PubChem CID 139266573) has the molecular formula C18H25NO3Se and a molecular weight of 382.36 g/mol. Its IUPAC name is tert-butyl 4-[(1S)-2-oxo-1-phenylselanylethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(1S)-2-oxo-1-phenylselanylethyl]piperidine-1-carboxylate
PubChem CID139266573
Molecular FormulaC18H25NO3Se
Molecular Weight382.36 g/mol
Exact Mass383.10
IUPAC Nametert-butyl 4-[(1S)-2-oxo-1-phenylselanylethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC([C@@H](C=O)[Se]c2ccccc2)CC1
InChIInChI=1S/C18H25NO3Se/c1-18(2,3)22-17(21)19-11-9-14(10-12-19)16(13-20)23-15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3/t16-/m1/s1
InChIKeyIVASLJGPDRKDPB-MRXNPFEDSA-N
XLogP2.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[hydroxy(phenyl)methyl]piperidine-1-carboxylate
CID 11818626
tert-butyl 4-[(1S)-1-fluoro-2-oxoethyl]piperidine-1-carboxylate
CID 126741779
tert-butyl 4-[(2S)-2-amino-2-phenylethyl]piperidine-1-carboxylate
CID 124671052
tert-butyl 4-[1-[(Z)-3-phenylprop-2-enoxy]ethyl]piperidine-1-carboxylate
CID 70052022
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 4-phenacylpiperidine-1-carboxylate
CID 137373276
tert-butyl 4-[[(1R)-1-phenylethyl]carbamoyl]piperidine-1-carboxylate
CID 7323759
2-(benzylamino)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
CID 134231640
tert-butyl 4-[1-(tert-butylamino)-2-oxoethyl]piperidine-1-carboxylate
CID 89049248
tert-butyl 4-(2-fluorophenyl)sulfanylpiperidine-1-carboxylate
CID 118159157
benzyl 4-[2-hydroxy-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propyl]piperidine-1-carboxylate
CID 177321170
tert-butyl 4-[(S)-(4-methylsulfonylphenyl)-phenylmethyl]piperidine-1-carboxylate
CID 155162949

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(1S)-2-oxo-1-phenylselanylethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(1S)-2-oxo-1-phenylselanylethyl]piperidine-1-carboxylate (CID 139266573) is tert-butyl 4-[(1S)-2-oxo-1-phenylselanylethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(1S)-2-oxo-1-phenylselanylethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(1S)-2-oxo-1-phenylselanylethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC([C@@H](C=O)[Se]c2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-[(1S)-2-oxo-1-phenylselanylethyl]piperidine-1-carboxylate?
The InChIKey is IVASLJGPDRKDPB-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25NO3Se/c1-18(2,3)22-17(21)19-11-9-14(10-12-19)16(13-20)23-15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3/t16-/m1/s1.
What are the key properties of tert-butyl 4-[(1S)-2-oxo-1-phenylselanylethyl]piperidine-1-carboxylate?
tert-butyl 4-[(1S)-2-oxo-1-phenylselanylethyl]piperidine-1-carboxylate has a molecular weight of 382.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(1S)-2-oxo-1-phenylselanylethyl]piperidine-1-carboxylate is sourced from PubChem (CID 139266573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).