N-tert-butyl-1-formyl-4-methylpiperazine-2-carboxamide

C11H21N3O2 — CID 15331857

IUPACN-tert-butyl-1-formyl-4-methylpiperazine-2-carboxamide
SMILESCN1CCN(C=O)C(C(=O)NC(C)(C)C)C1
InChIInChI=1S/C11H21N3O2/c1-11(2,3)12-10(16)9-7-13(4)5-6-14(9)8-15/h8-9H,5-7H2,1-4H3,(H,12,16)
InChIKeySNKFELDWNJFKIL-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.33
Rot. Bonds2

About N-tert-butyl-1-formyl-4-methylpiperazine-2-carboxamide

N-tert-butyl-1-formyl-4-methylpiperazine-2-carboxamide (PubChem CID 15331857) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-tert-butyl-1-formyl-4-methylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-formyl-4-methylpiperazine-2-carboxamide
PubChem CID15331857
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-tert-butyl-1-formyl-4-methylpiperazine-2-carboxamide
SMILESCN1CCN(C=O)C(C(=O)NC(C)(C)C)C1
InChIInChI=1S/C11H21N3O2/c1-11(2,3)12-10(16)9-7-13(4)5-6-14(9)8-15/h8-9H,5-7H2,1-4H3,(H,12,16)
InChIKeySNKFELDWNJFKIL-UHFFFAOYSA-N
XLogP-0.33
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-formyl-4-methylpiperazine-2-carboxamide?
The IUPAC name of N-tert-butyl-1-formyl-4-methylpiperazine-2-carboxamide (CID 15331857) is N-tert-butyl-1-formyl-4-methylpiperazine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-1-formyl-4-methylpiperazine-2-carboxamide?
The canonical SMILES for N-tert-butyl-1-formyl-4-methylpiperazine-2-carboxamide is CN1CCN(C=O)C(C(=O)NC(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-1-formyl-4-methylpiperazine-2-carboxamide?
The InChIKey is SNKFELDWNJFKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-11(2,3)12-10(16)9-7-13(4)5-6-14(9)8-15/h8-9H,5-7H2,1-4H3,(H,12,16).
What are the key properties of N-tert-butyl-1-formyl-4-methylpiperazine-2-carboxamide?
N-tert-butyl-1-formyl-4-methylpiperazine-2-carboxamide has a molecular weight of 227.31 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-formyl-4-methylpiperazine-2-carboxamide is sourced from PubChem (CID 15331857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).