tert-butyl N-(1-acetyl-5-phenylpiperidin-3-yl)carbamate

C18H26N2O3 — CID 112544487

IUPACtert-butyl N-(1-acetyl-5-phenylpiperidin-3-yl)carbamate
SMILESCC(=O)N1CC(NC(=O)OC(C)(C)C)CC(c2ccccc2)C1
InChIInChI=1S/C18H26N2O3/c1-13(21)20-11-15(14-8-6-5-7-9-14)10-16(12-20)19-17(22)23-18(2,3)4/h5-9,15-16H,10-12H2,1-4H3,(H,19,22)
InChIKeyJIHSRQVPIXMMGV-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.92
Rot. Bonds2

About tert-butyl N-(1-acetyl-5-phenylpiperidin-3-yl)carbamate

tert-butyl N-(1-acetyl-5-phenylpiperidin-3-yl)carbamate (PubChem CID 112544487) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is tert-butyl N-(1-acetyl-5-phenylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-acetyl-5-phenylpiperidin-3-yl)carbamate
PubChem CID112544487
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Nametert-butyl N-(1-acetyl-5-phenylpiperidin-3-yl)carbamate
SMILESCC(=O)N1CC(NC(=O)OC(C)(C)C)CC(c2ccccc2)C1
InChIInChI=1S/C18H26N2O3/c1-13(21)20-11-15(14-8-6-5-7-9-14)10-16(12-20)19-17(22)23-18(2,3)4/h5-9,15-16H,10-12H2,1-4H3,(H,19,22)
InChIKeyJIHSRQVPIXMMGV-UHFFFAOYSA-N
XLogP2.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.92
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-acetyl-5-phenylpiperidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1-acetyl-5-phenylpiperidin-3-yl)carbamate (CID 112544487) is tert-butyl N-(1-acetyl-5-phenylpiperidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-acetyl-5-phenylpiperidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-acetyl-5-phenylpiperidin-3-yl)carbamate is CC(=O)N1CC(NC(=O)OC(C)(C)C)CC(c2ccccc2)C1.
What is the InChIKey of tert-butyl N-(1-acetyl-5-phenylpiperidin-3-yl)carbamate?
The InChIKey is JIHSRQVPIXMMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13(21)20-11-15(14-8-6-5-7-9-14)10-16(12-20)19-17(22)23-18(2,3)4/h5-9,15-16H,10-12H2,1-4H3,(H,19,22).
What are the key properties of tert-butyl N-(1-acetyl-5-phenylpiperidin-3-yl)carbamate?
tert-butyl N-(1-acetyl-5-phenylpiperidin-3-yl)carbamate has a molecular weight of 318.42 g/mol, XLogP of 2.92, 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-acetyl-5-phenylpiperidin-3-yl)carbamate is sourced from PubChem (CID 112544487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).