tert-butyl N-(1-benzoylpiperidin-4-yl)carbamate

C17H24N2O3 — CID 2796151

IUPACtert-butyl N-(1-benzoylpiperidin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C17H24N2O3/c1-17(2,3)22-16(21)18-14-9-11-19(12-10-14)15(20)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,18,21)
InChIKeyQNEKFNMBKJEMEJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.82
Rot. Bonds2

About tert-butyl N-(1-benzoylpiperidin-4-yl)carbamate

tert-butyl N-(1-benzoylpiperidin-4-yl)carbamate (PubChem CID 2796151) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is tert-butyl N-(1-benzoylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-benzoylpiperidin-4-yl)carbamate
PubChem CID2796151
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nametert-butyl N-(1-benzoylpiperidin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C17H24N2O3/c1-17(2,3)22-16(21)18-14-9-11-19(12-10-14)15(20)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,18,21)
InChIKeyQNEKFNMBKJEMEJ-UHFFFAOYSA-N
XLogP2.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-benzoylpiperidin-4-yl)carbamate?
The IUPAC name of tert-butyl N-(1-benzoylpiperidin-4-yl)carbamate (CID 2796151) is tert-butyl N-(1-benzoylpiperidin-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-benzoylpiperidin-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-benzoylpiperidin-4-yl)carbamate is CC(C)(C)OC(=O)NC1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of tert-butyl N-(1-benzoylpiperidin-4-yl)carbamate?
The InChIKey is QNEKFNMBKJEMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-17(2,3)22-16(21)18-14-9-11-19(12-10-14)15(20)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,18,21).
What are the key properties of tert-butyl N-(1-benzoylpiperidin-4-yl)carbamate?
tert-butyl N-(1-benzoylpiperidin-4-yl)carbamate has a molecular weight of 304.39 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-benzoylpiperidin-4-yl)carbamate is sourced from PubChem (CID 2796151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).