N-(2-methylbut-3-yn-2-yl)-5-oxopiperazine-2-carboxamide

C10H15N3O2 — CID 107436631

IUPACN-(2-methylbut-3-yn-2-yl)-5-oxopiperazine-2-carboxamide
SMILESC#CC(C)(C)NC(=O)C1CNC(=O)CN1
InChIInChI=1S/C10H15N3O2/c1-4-10(2,3)13-9(15)7-5-12-8(14)6-11-7/h1,7,11H,5-6H2,2-3H3,(H,12,14)(H,13,15)
InChIKeyJFIXDAQCQBJVJI-UHFFFAOYSA-N
MW209.25 g/mol
LogP-1.40
Rot. Bonds2

About N-(2-methylbut-3-yn-2-yl)-5-oxopiperazine-2-carboxamide

N-(2-methylbut-3-yn-2-yl)-5-oxopiperazine-2-carboxamide (PubChem CID 107436631) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(2-methylbut-3-yn-2-yl)-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylbut-3-yn-2-yl)-5-oxopiperazine-2-carboxamide
PubChem CID107436631
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-(2-methylbut-3-yn-2-yl)-5-oxopiperazine-2-carboxamide
SMILESC#CC(C)(C)NC(=O)C1CNC(=O)CN1
InChIInChI=1S/C10H15N3O2/c1-4-10(2,3)13-9(15)7-5-12-8(14)6-11-7/h1,7,11H,5-6H2,2-3H3,(H,12,14)(H,13,15)
InChIKeyJFIXDAQCQBJVJI-UHFFFAOYSA-N
XLogP-1.40
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 5-oxopiperazine-2-carboxylate
CID 103846290
5-oxo-N-pentan-3-ylpiperazine-2-carboxamide
CID 107433338
N-[2-(methanesulfonamido)-2-methylpropyl]-5-oxopiperazine-2-carboxamide
CID 107436596
N-[(2R)-2-hydroxypropyl]-5-oxopiperazine-2-carboxamide
CID 107437971
N-[2-ethyl-2-(hydroxymethyl)butyl]-5-oxopiperazine-2-carboxamide
CID 114164742
N-(2-amino-2-oxoethyl)-5-oxopiperazine-2-carboxamide
CID 107433351
methyl 2-[(5-oxopiperazine-2-carbonyl)amino]propanoate
CID 107436041
N-[(1-hydroxycyclobutyl)methyl]-5-oxopiperazine-2-carboxamide
CID 107437701
N-(1-methoxypropan-2-yl)-5-oxopiperazine-2-carboxamide
CID 107433403
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxamide
CID 107437497
N-[1-(hydroxymethyl)cyclopropyl]-5-oxopiperazine-2-carboxamide
CID 107437680
N-(4-hydroxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434569

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbut-3-yn-2-yl)-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-(2-methylbut-3-yn-2-yl)-5-oxopiperazine-2-carboxamide (CID 107436631) is N-(2-methylbut-3-yn-2-yl)-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-(2-methylbut-3-yn-2-yl)-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-(2-methylbut-3-yn-2-yl)-5-oxopiperazine-2-carboxamide is C#CC(C)(C)NC(=O)C1CNC(=O)CN1.
What is the InChIKey of N-(2-methylbut-3-yn-2-yl)-5-oxopiperazine-2-carboxamide?
The InChIKey is JFIXDAQCQBJVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-4-10(2,3)13-9(15)7-5-12-8(14)6-11-7/h1,7,11H,5-6H2,2-3H3,(H,12,14)(H,13,15).
What are the key properties of N-(2-methylbut-3-yn-2-yl)-5-oxopiperazine-2-carboxamide?
N-(2-methylbut-3-yn-2-yl)-5-oxopiperazine-2-carboxamide has a molecular weight of 209.25 g/mol, XLogP of -1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbut-3-yn-2-yl)-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107436631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).