tert-butyl (3S)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-1-carboxylate

C19H27NO4 — CID 171613468

IUPACtert-butyl (3S)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H27NO4/c1-19(2,3)24-18(22)20-11-7-10-16(13-20)12-17(21)23-14-15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-14H2,1-3H3/t16-/m0/s1
InChIKeyFTEBAQNPOFLOTE-INIZCTEOSA-N
MW333.43 g/mol
LogP3.77
Rot. Bonds4

About tert-butyl (3S)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-1-carboxylate

tert-butyl (3S)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-1-carboxylate (PubChem CID 171613468) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is tert-butyl (3S)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-1-carboxylate
PubChem CID171613468
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Nametert-butyl (3S)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H27NO4/c1-19(2,3)24-18(22)20-11-7-10-16(13-20)12-17(21)23-14-15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-14H2,1-3H3/t16-/m0/s1
InChIKeyFTEBAQNPOFLOTE-INIZCTEOSA-N
XLogP3.77
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-3-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-1-carboxylate
CID 58120124
benzyl 3-(bromomethyl)piperidine-1-carboxylate
CID 23000675
tert-butyl 3-[3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]piperidine-1-carboxylate
CID 50999089
tert-butyl (3R)-3-[methyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate
CID 124562604
tert-butyl 4-(phenylmethoxycarbonylaminomethyl)azepane-1-carboxylate
CID 137424963
tert-butyl (3S)-3-[cyclopropyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate
CID 121293773
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
CID 4115028
tert-butyl (3R)-3-[(1-phenylmethoxycarbonylpiperidin-4-yl)methylamino]piperidine-1-carboxylate
CID 170459926
tert-butyl (3R)-3-(phenoxymethyl)piperidine-1-carboxylate
CID 68644853
benzyl 4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylate
CID 131636835
tert-butyl (3S)-3-(2-amino-2-oxoethyl)piperidine-1-carboxylate
CID 156540665
tert-butyl (3R)-3-(phenylmethoxyamino)piperidine-1-carboxylate
CID 126709456

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-1-carboxylate (CID 171613468) is tert-butyl (3S)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)OCc2ccccc2)C1.
What is the InChIKey of tert-butyl (3S)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-1-carboxylate?
The InChIKey is FTEBAQNPOFLOTE-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27NO4/c1-19(2,3)24-18(22)20-11-7-10-16(13-20)12-17(21)23-14-15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-14H2,1-3H3/t16-/m0/s1.
What are the key properties of tert-butyl (3S)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-1-carboxylate?
tert-butyl (3S)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-1-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-1-carboxylate is sourced from PubChem (CID 171613468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).