tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate

C13H24N2O4 — CID 11065582

IUPACtert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate
SMILESCON(C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-8-6-10(7-9-15)11(16)14(4)18-5/h10H,6-9H2,1-5H3
InChIKeyITCQNWXLNZGEHP-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.65
Rot. Bonds2

About tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate

tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 11065582) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate
PubChem CID11065582
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Nametert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate
SMILESCON(C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-8-6-10(7-9-15)11(16)14(4)18-5/h10H,6-9H2,1-5H3
InChIKeyITCQNWXLNZGEHP-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate (CID 11065582) is tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate is CON(C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is ITCQNWXLNZGEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-8-6-10(7-9-15)11(16)14(4)18-5/h10H,6-9H2,1-5H3.
What are the key properties of tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 272.34 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 11065582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).