tert-butyl 4-(butylcarbamoyl)piperidine-1-carboxylate

C15H28N2O3 — CID 4565153

IUPACtert-butyl 4-(butylcarbamoyl)piperidine-1-carboxylate
SMILESCCCCNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28N2O3/c1-5-6-9-16-13(18)12-7-10-17(11-8-12)14(19)20-15(2,3)4/h12H,5-11H2,1-4H3,(H,16,18)
InChIKeyKARIMRXLLJFIST-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.55
Rot. Bonds4

About tert-butyl 4-(butylcarbamoyl)piperidine-1-carboxylate

tert-butyl 4-(butylcarbamoyl)piperidine-1-carboxylate (PubChem CID 4565153) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl 4-(butylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(butylcarbamoyl)piperidine-1-carboxylate
PubChem CID4565153
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl 4-(butylcarbamoyl)piperidine-1-carboxylate
SMILESCCCCNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28N2O3/c1-5-6-9-16-13(18)12-7-10-17(11-8-12)14(19)20-15(2,3)4/h12H,5-11H2,1-4H3,(H,16,18)
InChIKeyKARIMRXLLJFIST-UHFFFAOYSA-N
XLogP2.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl 4-(butylcarbamoyl)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 4-(butylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(butylcarbamoyl)piperidine-1-carboxylate (CID 4565153) is tert-butyl 4-(butylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(butylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(butylcarbamoyl)piperidine-1-carboxylate is CCCCNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(butylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is KARIMRXLLJFIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-6-9-16-13(18)12-7-10-17(11-8-12)14(19)20-15(2,3)4/h12H,5-11H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl 4-(butylcarbamoyl)piperidine-1-carboxylate?
tert-butyl 4-(butylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(butylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 4565153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).