butyl 4-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate

C15H28N2O3 — CID 108563148

IUPACbutyl 4-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(NC(=O)C(C)(C)C)CC1
InChIInChI=1S/C15H28N2O3/c1-5-6-11-20-14(19)17-9-7-12(8-10-17)16-13(18)15(2,3)4/h12H,5-11H2,1-4H3,(H,16,18)
InChIKeyDMCFJPXHZLTUBZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.55
Rot. Bonds4

About butyl 4-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate

butyl 4-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate (PubChem CID 108563148) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is butyl 4-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate
PubChem CID108563148
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Namebutyl 4-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(NC(=O)C(C)(C)C)CC1
InChIInChI=1S/C15H28N2O3/c1-5-6-11-20-14(19)17-9-7-12(8-10-17)16-13(18)15(2,3)4/h12H,5-11H2,1-4H3,(H,16,18)
InChIKeyDMCFJPXHZLTUBZ-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'}

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Related Compounds

butyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 151751894
butyl 4-[(2-cyanoacetyl)amino]piperidine-1-carboxylate
CID 108558979
butyl aziridine-1-carboxylate
CID 12641
butyl 4-bromopiperidine-1-carboxylate
CID 21219163
butyl 3-(ethylamino)pyrrolidine-1-carboxylate
CID 69158445
butyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate
CID 108562444
butyl 4-[(2-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 108559345
butyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate
CID 108559396
butyl 4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108561476
butyl 4-(3-iodopropyl)piperidine-1-carboxylate
CID 151178027
butyl 4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108560933
butyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate
CID 108561579

Frequently Asked Questions

What is the IUPAC name of butyl 4-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate?
The IUPAC name of butyl 4-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate (CID 108563148) is butyl 4-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate.
What is the SMILES notation for butyl 4-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate?
The canonical SMILES for butyl 4-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate is CCCCOC(=O)N1CCC(NC(=O)C(C)(C)C)CC1.
What is the InChIKey of butyl 4-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate?
The InChIKey is DMCFJPXHZLTUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-6-11-20-14(19)17-9-7-12(8-10-17)16-13(18)15(2,3)4/h12H,5-11H2,1-4H3,(H,16,18).
What are the key properties of butyl 4-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate?
butyl 4-(2,2-dimethylpropanoylamino)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 butyl 4-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate is sourced from PubChem (CID 108563148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).