tert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate

C14H25NO4 — CID 124583757

IUPACtert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate
SMILESCOC(=O)[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25NO4/c1-10(12(16)18-5)11-6-8-15(9-7-11)13(17)19-14(2,3)4/h10-11H,6-9H2,1-5H3/t10-/m0/s1
InChIKeyCOKBVWSGRKAQAZ-JTQLQIEISA-N
MW271.36 g/mol
LogP2.44
Rot. Bonds2

About tert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate

tert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate (PubChem CID 124583757) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate
PubChem CID124583757
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nametert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate
SMILESCOC(=O)[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25NO4/c1-10(12(16)18-5)11-6-8-15(9-7-11)13(17)19-14(2,3)4/h10-11H,6-9H2,1-5H3/t10-/m0/s1
InChIKeyCOKBVWSGRKAQAZ-JTQLQIEISA-N
XLogP2.44
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[(2R)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate
CID 124583758
tert-butyl 3-(1-amino-2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 24730213
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 4-(1-methoxyethyl)piperidine-1-carboxylate;propane
CID 155573661
tert-butyl 4-[(1S)-1-iodoethyl]piperidine-1-carboxylate
CID 97175280
tert-butyl (3S)-3-propan-2-ylpyrrolidine-1-carboxylate
CID 139452592
tert-butyl 4-[(1S)-1-sulfanylethyl]piperidine-1-carboxylate
CID 97176087
tert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]oxypiperidine-1-carboxylate
CID 146599014
tert-butyl 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 129073944
tert-butyl 3-[(1-methoxy-1-oxopropan-2-yl)amino]pyrrolidine-1-carboxylate
CID 79040519
tert-butyl 4-[cyclopropyl-(sulfanylamino)methyl]piperidine-1-carboxylate;2-methylpropane
CID 142509298
tert-butyl 4-[cyclopropyl-(sulfanylamino)methyl]piperidine-1-carboxylate
CID 142509299

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate (CID 124583757) is tert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate is COC(=O)[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate?
The InChIKey is COKBVWSGRKAQAZ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H25NO4/c1-10(12(16)18-5)11-6-8-15(9-7-11)13(17)19-14(2,3)4/h10-11H,6-9H2,1-5H3/t10-/m0/s1.
What are the key properties of tert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate?
tert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 124583757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).