tert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate

C13H24N2O4 — CID 10635916

IUPACtert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate
SMILESCON(C)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-9-7-6-8-10(15)11(16)14(4)18-5/h10H,6-9H2,1-5H3/t10-/m1/s1
InChIKeyBYYHZPIPLAIBOA-SNVBAGLBSA-N
MW272.34 g/mol
LogP1.80
Rot. Bonds2

About tert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate

tert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 10635916) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is tert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate
PubChem CID10635916
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Nametert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate
SMILESCON(C)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-9-7-6-8-10(15)11(16)14(4)18-5/h10H,6-9H2,1-5H3/t10-/m1/s1
InChIKeyBYYHZPIPLAIBOA-SNVBAGLBSA-N
XLogP1.80
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2S)-2-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylate;methane;N-methoxymethanamine;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;sulfane;hydrochloride
CID 167535841
magnesium;tert-butyl (2S)-2-acetylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylate;carbanide;oxolane;sulfane;bromide
CID 167558005
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 688617
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 10537428
1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-2-carboxylic acid
CID 3292084
3-[methoxy(methyl)carbamoyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid
CID 90099642
tert-butyl 3-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate
CID 22309118
tert-butyl (2R)-2-[(E)-but-2-enoyl]piperidine-1-carboxylate
CID 165462634
tert-butyl (2S)-2-(2-chloroacetyl)piperidine-1-carboxylate
CID 91971112
tert-butyl 2-(tert-butylcarbamoyl)piperidine-1-carboxylate
CID 100994535
1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate;ethane
CID 143353751
tert-butyl (2R)-2-(N'-hydroxycarbamimidoyl)piperidine-1-carboxylate
CID 130131589

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate (CID 10635916) is tert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate is CON(C)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is BYYHZPIPLAIBOA-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-9-7-6-8-10(15)11(16)14(4)18-5/h10H,6-9H2,1-5H3/t10-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate?
tert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 272.34 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 10635916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).