(1-acetyl-2-tert-butylpiperidin-4-yl) carbamate

C12H22N2O3 — CID 142727662

IUPAC(1-acetyl-2-tert-butylpiperidin-4-yl) carbamate
SMILESCC(=O)N1CCC(OC(N)=O)CC1C(C)(C)C
InChIInChI=1S/C12H22N2O3/c1-8(15)14-6-5-9(17-11(13)16)7-10(14)12(2,3)4/h9-10H,5-7H2,1-4H3,(H2,13,16)
InChIKeyOXLAHKXWIRKWSH-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.51
Rot. Bonds1

About (1-acetyl-2-tert-butylpiperidin-4-yl) carbamate

(1-acetyl-2-tert-butylpiperidin-4-yl) carbamate (PubChem CID 142727662) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (1-acetyl-2-tert-butylpiperidin-4-yl) carbamate.

Molecular Properties

Compound Name(1-acetyl-2-tert-butylpiperidin-4-yl) carbamate
PubChem CID142727662
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(1-acetyl-2-tert-butylpiperidin-4-yl) carbamate
SMILESCC(=O)N1CCC(OC(N)=O)CC1C(C)(C)C
InChIInChI=1S/C12H22N2O3/c1-8(15)14-6-5-9(17-11(13)16)7-10(14)12(2,3)4/h9-10H,5-7H2,1-4H3,(H2,13,16)
InChIKeyOXLAHKXWIRKWSH-UHFFFAOYSA-N
XLogP1.51
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-acetyl-2-tert-butylpiperidin-4-yl) carbamate?
The IUPAC name of (1-acetyl-2-tert-butylpiperidin-4-yl) carbamate (CID 142727662) is (1-acetyl-2-tert-butylpiperidin-4-yl) carbamate.
What is the SMILES notation for (1-acetyl-2-tert-butylpiperidin-4-yl) carbamate?
The canonical SMILES for (1-acetyl-2-tert-butylpiperidin-4-yl) carbamate is CC(=O)N1CCC(OC(N)=O)CC1C(C)(C)C.
What is the InChIKey of (1-acetyl-2-tert-butylpiperidin-4-yl) carbamate?
The InChIKey is OXLAHKXWIRKWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(15)14-6-5-9(17-11(13)16)7-10(14)12(2,3)4/h9-10H,5-7H2,1-4H3,(H2,13,16).
What are the key properties of (1-acetyl-2-tert-butylpiperidin-4-yl) carbamate?
(1-acetyl-2-tert-butylpiperidin-4-yl) carbamate has a molecular weight of 242.32 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyl-2-tert-butylpiperidin-4-yl) carbamate is sourced from PubChem (CID 142727662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).