(NE)-N-(piperazine-1-carbonylimino)piperazine-1-carboxamide

C10H18N6O2 — CID 15177232

IUPAC(NE)-N-(piperazine-1-carbonylimino)piperazine-1-carboxamide
SMILESO=C(/N=N/C(=O)N1CCNCC1)N1CCNCC1
InChIInChI=1S/C10H18N6O2/c17-9(15-5-1-11-2-6-15)13-14-10(18)16-7-3-12-4-8-16/h11-12H,1-8H2/b14-13+
InChIKeyXIWUQOIVKVOLSJ-BUHFOSPRSA-N
MW254.29 g/mol
LogP-0.51
Rot. Bonds

About (NE)-N-(piperazine-1-carbonylimino)piperazine-1-carboxamide

(NE)-N-(piperazine-1-carbonylimino)piperazine-1-carboxamide (PubChem CID 15177232) has the molecular formula C10H18N6O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is (NE)-N-(piperazine-1-carbonylimino)piperazine-1-carboxamide.

Molecular Properties

Compound Name(NE)-N-(piperazine-1-carbonylimino)piperazine-1-carboxamide
PubChem CID15177232
Molecular FormulaC10H18N6O2
Molecular Weight254.29 g/mol
Exact Mass254.15
IUPAC Name(NE)-N-(piperazine-1-carbonylimino)piperazine-1-carboxamide
SMILESO=C(/N=N/C(=O)N1CCNCC1)N1CCNCC1
InChIInChI=1S/C10H18N6O2/c17-9(15-5-1-11-2-6-15)13-14-10(18)16-7-3-12-4-8-16/h11-12H,1-8H2/b14-13+
InChIKeyXIWUQOIVKVOLSJ-BUHFOSPRSA-N
XLogP-0.51
TPSA89.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-(piperazine-1-carbonylimino)piperazine-1-carboxamide?
The IUPAC name of (NE)-N-(piperazine-1-carbonylimino)piperazine-1-carboxamide (CID 15177232) is (NE)-N-(piperazine-1-carbonylimino)piperazine-1-carboxamide.
What is the SMILES notation for (NE)-N-(piperazine-1-carbonylimino)piperazine-1-carboxamide?
The canonical SMILES for (NE)-N-(piperazine-1-carbonylimino)piperazine-1-carboxamide is O=C(/N=N/C(=O)N1CCNCC1)N1CCNCC1.
What is the InChIKey of (NE)-N-(piperazine-1-carbonylimino)piperazine-1-carboxamide?
The InChIKey is XIWUQOIVKVOLSJ-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H18N6O2/c17-9(15-5-1-11-2-6-15)13-14-10(18)16-7-3-12-4-8-16/h11-12H,1-8H2/b14-13+.
What are the key properties of (NE)-N-(piperazine-1-carbonylimino)piperazine-1-carboxamide?
(NE)-N-(piperazine-1-carbonylimino)piperazine-1-carboxamide has a molecular weight of 254.29 g/mol, XLogP of -0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(piperazine-1-carbonylimino)piperazine-1-carboxamide is sourced from PubChem (CID 15177232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).