tert-butyl 4-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate

C12H22N2O4 — CID 67539858

IUPACtert-butyl 4-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate
SMILESCNC(=O)C1CC(O)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H22N2O4/c1-12(2,3)18-11(17)14-6-5-8(15)7-9(14)10(16)13-4/h8-9,15H,5-7H2,1-4H3,(H,13,16)
InChIKeyBBNCFDYNGNWFRK-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.49
Rot. Bonds1

About tert-butyl 4-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate

tert-butyl 4-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate (PubChem CID 67539858) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate
PubChem CID67539858
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Nametert-butyl 4-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate
SMILESCNC(=O)C1CC(O)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H22N2O4/c1-12(2,3)18-11(17)14-6-5-8(15)7-9(14)10(16)13-4/h8-9,15H,5-7H2,1-4H3,(H,13,16)
InChIKeyBBNCFDYNGNWFRK-UHFFFAOYSA-N
XLogP0.49
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-O-tert-butyl 2-O-methyl (2R,4S)-4-hydroxypiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypiperidine-1,2-dicarboxylate
CID 172878152
tert-butyl (2R,4S)-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 18653318
tert-butyl (2S,4S)-2-(methylcarbamoyl)-4-sulfanylpyrrolidine-1-carboxylate
CID 139758045
3-(methylcarbamoyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid
CID 66856939
tert-butyl (2R)-2-(hydrazinecarbonyl)azetidine-1-carboxylate
CID 129408107
1-O-tert-butyl 2-O-methyl 4-methylpiperidine-1,2-dicarboxylate
CID 21032095
1-O-tert-butyl 2-O-methyl (2S)-azetidine-1,2-dicarboxylate
CID 14821736
(4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 58822358
(2R,4S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid
CID 162368053
ditert-butyl azetidine-1,2-dicarboxylate
CID 14821737
tert-butyl 5-hydroxy-2-methylazepane-1-carboxylate
CID 77230933
4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;phenylmethanamine
CID 67241177

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate (CID 67539858) is tert-butyl 4-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate is CNC(=O)C1CC(O)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is BBNCFDYNGNWFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-12(2,3)18-11(17)14-6-5-8(15)7-9(14)10(16)13-4/h8-9,15H,5-7H2,1-4H3,(H,13,16).
What are the key properties of tert-butyl 4-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate?
tert-butyl 4-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 67539858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).