tert-butyl 3-[methoxy(propan-2-yl)carbamoyl]piperidine-1-carboxylate

C15H28N2O4 — CID 91229192

IUPACtert-butyl 3-[methoxy(propan-2-yl)carbamoyl]piperidine-1-carboxylate
SMILESCON(C(=O)C1CCCN(C(=O)OC(C)(C)C)C1)C(C)C
InChIInChI=1S/C15H28N2O4/c1-11(2)17(20-6)13(18)12-8-7-9-16(10-12)14(19)21-15(3,4)5/h11-12H,7-10H2,1-6H3
InChIKeyRYAAGCFWNYMPSC-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.43
Rot. Bonds3

About tert-butyl 3-[methoxy(propan-2-yl)carbamoyl]piperidine-1-carboxylate

tert-butyl 3-[methoxy(propan-2-yl)carbamoyl]piperidine-1-carboxylate (PubChem CID 91229192) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is tert-butyl 3-[methoxy(propan-2-yl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[methoxy(propan-2-yl)carbamoyl]piperidine-1-carboxylate
PubChem CID91229192
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Nametert-butyl 3-[methoxy(propan-2-yl)carbamoyl]piperidine-1-carboxylate
SMILESCON(C(=O)C1CCCN(C(=O)OC(C)(C)C)C1)C(C)C
InChIInChI=1S/C15H28N2O4/c1-11(2)17(20-6)13(18)12-8-7-9-16(10-12)14(19)21-15(3,4)5/h11-12H,7-10H2,1-6H3
InChIKeyRYAAGCFWNYMPSC-UHFFFAOYSA-N
XLogP2.43
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl 3-[methoxy(propan-2-yl)carbamoyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[methoxy(propan-2-yl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[methoxy(propan-2-yl)carbamoyl]piperidine-1-carboxylate (CID 91229192) is tert-butyl 3-[methoxy(propan-2-yl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[methoxy(propan-2-yl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[methoxy(propan-2-yl)carbamoyl]piperidine-1-carboxylate is CON(C(=O)C1CCCN(C(=O)OC(C)(C)C)C1)C(C)C.
What is the InChIKey of tert-butyl 3-[methoxy(propan-2-yl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is RYAAGCFWNYMPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-11(2)17(20-6)13(18)12-8-7-9-16(10-12)14(19)21-15(3,4)5/h11-12H,7-10H2,1-6H3.
What are the key properties of tert-butyl 3-[methoxy(propan-2-yl)carbamoyl]piperidine-1-carboxylate?
tert-butyl 3-[methoxy(propan-2-yl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 300.40 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[methoxy(propan-2-yl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 91229192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).