N-tert-butyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide

C11H21N3O2 — CID 53017587

IUPACN-tert-butyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C11H21N3O2/c1-10(2,3)13-9(16)14-7-6-12-8(15)11(14,4)5/h6-7H2,1-5H3,(H,12,15)(H,13,16)
InChIKeyPXJZLWUTDFYWQP-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.70
Rot. Bonds

About N-tert-butyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide

N-tert-butyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide (PubChem CID 53017587) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-tert-butyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide
PubChem CID53017587
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-tert-butyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C11H21N3O2/c1-10(2,3)13-9(16)14-7-6-12-8(15)11(14,4)5/h6-7H2,1-5H3,(H,12,15)(H,13,16)
InChIKeyPXJZLWUTDFYWQP-UHFFFAOYSA-N
XLogP0.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide (CID 53017587) is N-tert-butyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide is CC(C)(C)NC(=O)N1CCNC(=O)C1(C)C.
What is the InChIKey of N-tert-butyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide?
The InChIKey is PXJZLWUTDFYWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-10(2,3)13-9(16)14-7-6-12-8(15)11(14,4)5/h6-7H2,1-5H3,(H,12,15)(H,13,16).
What are the key properties of N-tert-butyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide?
N-tert-butyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide has a molecular weight of 227.31 g/mol, XLogP of 0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 53017587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).