N-tert-butyl-4-formylpiperazine-1-carboxamide

C10H19N3O2 — CID 4995630

IUPACN-tert-butyl-4-formylpiperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(C=O)CC1
InChIInChI=1S/C10H19N3O2/c1-10(2,3)11-9(15)13-6-4-12(8-14)5-7-13/h8H,4-7H2,1-3H3,(H,11,15)
InChIKeyWYNZGCSMHUNJJH-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.27
Rot. Bonds1

About N-tert-butyl-4-formylpiperazine-1-carboxamide

N-tert-butyl-4-formylpiperazine-1-carboxamide (PubChem CID 4995630) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-tert-butyl-4-formylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-formylpiperazine-1-carboxamide
PubChem CID4995630
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN-tert-butyl-4-formylpiperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(C=O)CC1
InChIInChI=1S/C10H19N3O2/c1-10(2,3)11-9(15)13-6-4-12(8-14)5-7-13/h8H,4-7H2,1-3H3,(H,11,15)
InChIKeyWYNZGCSMHUNJJH-UHFFFAOYSA-N
XLogP0.27
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butylpiperazine-1-carboxamide;hydrochloride
CID 67462166
N-[(2R)-butan-2-yl]-4-formylpiperazine-1-carboxamide
CID 51386955
N-tert-butyl-3-propan-2-ylimidazolidine-1-carboxamide
CID 146427463
4-formyl-N-[(E)-2-methylbut-1-enyl]piperazine-1-carboxamide
CID 108914425
N-tert-butyl-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104934
N-[2-(dimethylamino)ethyl]-4-formylpiperazine-1-carboxamide
CID 108988177
4-[6-(tert-butylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116972
N-tert-butyl-4-ethyl-4-methylpiperidine-1-carboxamide
CID 115695093
4-acetamido-N-tert-butylpiperidine-1-carboxamide
CID 110748466
4-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]piperazine-1-carbaldehyde
CID 108517141
4-[1-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde
CID 108974246
N-tert-butyl-4-pentanoyl-1,4-diazepane-1-carboxamide
CID 110811353

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-formylpiperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-formylpiperazine-1-carboxamide (CID 4995630) is N-tert-butyl-4-formylpiperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-formylpiperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-formylpiperazine-1-carboxamide is CC(C)(C)NC(=O)N1CCN(C=O)CC1.
What is the InChIKey of N-tert-butyl-4-formylpiperazine-1-carboxamide?
The InChIKey is WYNZGCSMHUNJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-10(2,3)11-9(15)13-6-4-12(8-14)5-7-13/h8H,4-7H2,1-3H3,(H,11,15).
What are the key properties of N-tert-butyl-4-formylpiperazine-1-carboxamide?
N-tert-butyl-4-formylpiperazine-1-carboxamide has a molecular weight of 213.28 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-formylpiperazine-1-carboxamide is sourced from PubChem (CID 4995630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).