4-(4-hydrazinyl-4-oxobutanoyl)piperazine-1-carboxamide

C9H17N5O3 — CID 2759287

IUPAC4-(4-hydrazinyl-4-oxobutanoyl)piperazine-1-carboxamide
SMILESNNC(=O)CCC(=O)N1CCN(C(N)=O)CC1
InChIInChI=1S/C9H17N5O3/c10-9(17)14-5-3-13(4-6-14)8(16)2-1-7(15)12-11/h1-6,11H2,(H2,10,17)(H,12,15)
InChIKeyQFAFCRLVYPCIST-UHFFFAOYSA-N
MW243.27 g/mol
LogP-2.02
Rot. Bonds3

About 4-(4-hydrazinyl-4-oxobutanoyl)piperazine-1-carboxamide

4-(4-hydrazinyl-4-oxobutanoyl)piperazine-1-carboxamide (PubChem CID 2759287) has the molecular formula C9H17N5O3 and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-(4-hydrazinyl-4-oxobutanoyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-hydrazinyl-4-oxobutanoyl)piperazine-1-carboxamide
PubChem CID2759287
Molecular FormulaC9H17N5O3
Molecular Weight243.27 g/mol
Exact Mass243.13
IUPAC Name4-(4-hydrazinyl-4-oxobutanoyl)piperazine-1-carboxamide
SMILESNNC(=O)CCC(=O)N1CCN(C(N)=O)CC1
InChIInChI=1S/C9H17N5O3/c10-9(17)14-5-3-13(4-6-14)8(16)2-1-7(15)12-11/h1-6,11H2,(H2,10,17)(H,12,15)
InChIKeyQFAFCRLVYPCIST-UHFFFAOYSA-N
XLogP-2.02
TPSA121.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 5-2.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydrazinyl-4-oxobutanoyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-hydrazinyl-4-oxobutanoyl)piperazine-1-carboxamide (CID 2759287) is 4-(4-hydrazinyl-4-oxobutanoyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-hydrazinyl-4-oxobutanoyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-hydrazinyl-4-oxobutanoyl)piperazine-1-carboxamide is NNC(=O)CCC(=O)N1CCN(C(N)=O)CC1.
What is the InChIKey of 4-(4-hydrazinyl-4-oxobutanoyl)piperazine-1-carboxamide?
The InChIKey is QFAFCRLVYPCIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O3/c10-9(17)14-5-3-13(4-6-14)8(16)2-1-7(15)12-11/h1-6,11H2,(H2,10,17)(H,12,15).
What are the key properties of 4-(4-hydrazinyl-4-oxobutanoyl)piperazine-1-carboxamide?
4-(4-hydrazinyl-4-oxobutanoyl)piperazine-1-carboxamide has a molecular weight of 243.27 g/mol, XLogP of -2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydrazinyl-4-oxobutanoyl)piperazine-1-carboxamide is sourced from PubChem (CID 2759287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).