2-methylpropyl 1-benzoyloxypiperidine-4-carboxylate

C17H23NO4 — CID 123704413

IUPAC2-methylpropyl 1-benzoyloxypiperidine-4-carboxylate
SMILESCC(C)COC(=O)C1CCN(OC(=O)c2ccccc2)CC1
InChIInChI=1S/C17H23NO4/c1-13(2)12-21-16(19)15-8-10-18(11-9-15)22-17(20)14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3
InChIKeyREGZARPGGQTJNJ-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.67
Rot. Bonds5

About 2-methylpropyl 1-benzoyloxypiperidine-4-carboxylate

2-methylpropyl 1-benzoyloxypiperidine-4-carboxylate (PubChem CID 123704413) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-methylpropyl 1-benzoyloxypiperidine-4-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 1-benzoyloxypiperidine-4-carboxylate
PubChem CID123704413
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name2-methylpropyl 1-benzoyloxypiperidine-4-carboxylate
SMILESCC(C)COC(=O)C1CCN(OC(=O)c2ccccc2)CC1
InChIInChI=1S/C17H23NO4/c1-13(2)12-21-16(19)15-8-10-18(11-9-15)22-17(20)14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3
InChIKeyREGZARPGGQTJNJ-UHFFFAOYSA-N
XLogP2.67
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 1-benzoyloxypiperidine-4-carboxylate?
The IUPAC name of 2-methylpropyl 1-benzoyloxypiperidine-4-carboxylate (CID 123704413) is 2-methylpropyl 1-benzoyloxypiperidine-4-carboxylate.
What is the SMILES notation for 2-methylpropyl 1-benzoyloxypiperidine-4-carboxylate?
The canonical SMILES for 2-methylpropyl 1-benzoyloxypiperidine-4-carboxylate is CC(C)COC(=O)C1CCN(OC(=O)c2ccccc2)CC1.
What is the InChIKey of 2-methylpropyl 1-benzoyloxypiperidine-4-carboxylate?
The InChIKey is REGZARPGGQTJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-13(2)12-21-16(19)15-8-10-18(11-9-15)22-17(20)14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3.
What are the key properties of 2-methylpropyl 1-benzoyloxypiperidine-4-carboxylate?
2-methylpropyl 1-benzoyloxypiperidine-4-carboxylate has a molecular weight of 305.37 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 1-benzoyloxypiperidine-4-carboxylate is sourced from PubChem (CID 123704413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).