(1-carbamoylpiperidin-4-yl) N-tert-butylcarbamate

C11H21N3O3 — CID 90693574

IUPAC(1-carbamoylpiperidin-4-yl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCN(C(N)=O)CC1
InChIInChI=1S/C11H21N3O3/c1-11(2,3)13-10(16)17-8-4-6-14(7-5-8)9(12)15/h8H,4-7H2,1-3H3,(H2,12,15)(H,13,16)
InChIKeyIJSFAHXWKMIARI-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.05
Rot. Bonds1

About (1-carbamoylpiperidin-4-yl) N-tert-butylcarbamate

(1-carbamoylpiperidin-4-yl) N-tert-butylcarbamate (PubChem CID 90693574) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is (1-carbamoylpiperidin-4-yl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(1-carbamoylpiperidin-4-yl) N-tert-butylcarbamate
PubChem CID90693574
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name(1-carbamoylpiperidin-4-yl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCN(C(N)=O)CC1
InChIInChI=1S/C11H21N3O3/c1-11(2,3)13-10(16)17-8-4-6-14(7-5-8)9(12)15/h8H,4-7H2,1-3H3,(H2,12,15)(H,13,16)
InChIKeyIJSFAHXWKMIARI-UHFFFAOYSA-N
XLogP1.05
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-carbamoylpiperidin-4-yl) N-tert-butylcarbamate?
The IUPAC name of (1-carbamoylpiperidin-4-yl) N-tert-butylcarbamate (CID 90693574) is (1-carbamoylpiperidin-4-yl) N-tert-butylcarbamate.
What is the SMILES notation for (1-carbamoylpiperidin-4-yl) N-tert-butylcarbamate?
The canonical SMILES for (1-carbamoylpiperidin-4-yl) N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1CCN(C(N)=O)CC1.
What is the InChIKey of (1-carbamoylpiperidin-4-yl) N-tert-butylcarbamate?
The InChIKey is IJSFAHXWKMIARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-11(2,3)13-10(16)17-8-4-6-14(7-5-8)9(12)15/h8H,4-7H2,1-3H3,(H2,12,15)(H,13,16).
What are the key properties of (1-carbamoylpiperidin-4-yl) N-tert-butylcarbamate?
(1-carbamoylpiperidin-4-yl) N-tert-butylcarbamate has a molecular weight of 243.31 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamoylpiperidin-4-yl) N-tert-butylcarbamate is sourced from PubChem (CID 90693574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).