butyl 1-(3-methylbutanoyl)piperidine-4-carboxylate

C15H27NO3 — CID 91728398

IUPACbutyl 1-(3-methylbutanoyl)piperidine-4-carboxylate
SMILESCCCCOC(=O)C1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C15H27NO3/c1-4-5-10-19-15(18)13-6-8-16(9-7-13)14(17)11-12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyAIJODJFJPWKUDR-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.61
Rot. Bonds6

About butyl 1-(3-methylbutanoyl)piperidine-4-carboxylate

butyl 1-(3-methylbutanoyl)piperidine-4-carboxylate (PubChem CID 91728398) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is butyl 1-(3-methylbutanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namebutyl 1-(3-methylbutanoyl)piperidine-4-carboxylate
PubChem CID91728398
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namebutyl 1-(3-methylbutanoyl)piperidine-4-carboxylate
SMILESCCCCOC(=O)C1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C15H27NO3/c1-4-5-10-19-15(18)13-6-8-16(9-7-13)14(17)11-12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyAIJODJFJPWKUDR-UHFFFAOYSA-N
XLogP2.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl 1-(3-methylbutanoyl)piperidine-4-carboxylate?
The IUPAC name of butyl 1-(3-methylbutanoyl)piperidine-4-carboxylate (CID 91728398) is butyl 1-(3-methylbutanoyl)piperidine-4-carboxylate.
What is the SMILES notation for butyl 1-(3-methylbutanoyl)piperidine-4-carboxylate?
The canonical SMILES for butyl 1-(3-methylbutanoyl)piperidine-4-carboxylate is CCCCOC(=O)C1CCN(C(=O)CC(C)C)CC1.
What is the InChIKey of butyl 1-(3-methylbutanoyl)piperidine-4-carboxylate?
The InChIKey is AIJODJFJPWKUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-4-5-10-19-15(18)13-6-8-16(9-7-13)14(17)11-12(2)3/h12-13H,4-11H2,1-3H3.
What are the key properties of butyl 1-(3-methylbutanoyl)piperidine-4-carboxylate?
butyl 1-(3-methylbutanoyl)piperidine-4-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 1-(3-methylbutanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 91728398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).