carboxyiminocarbamic acid;bis(piperidine)

C12H24N4O4 — CID 66707187

IUPACcarboxyiminocarbamic acid;bis(piperidine)
SMILESC1CCNCC1.C1CCNCC1.O=C(O)N=NC(=O)O
InChIInChI=1S/2C5H11N.C2H2N2O4/c2*1-2-4-6-5-3-1;5-1(6)3-4-2(7)8/h2*6H,1-5H2;(H,5,6)(H,7,8)
InChIKeyZDKXGMCCHIEUHM-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.31
Rot. Bonds

About carboxyiminocarbamic acid;bis(piperidine)

carboxyiminocarbamic acid;bis(piperidine) (PubChem CID 66707187) has the molecular formula C12H24N4O4 and a molecular weight of 288.35 g/mol. Its IUPAC name is carboxyiminocarbamic acid;bis(piperidine).

Molecular Properties

Compound Namecarboxyiminocarbamic acid;bis(piperidine)
PubChem CID66707187
Molecular FormulaC12H24N4O4
Molecular Weight288.35 g/mol
Exact Mass288.18
IUPAC Namecarboxyiminocarbamic acid;bis(piperidine)
SMILESC1CCNCC1.C1CCNCC1.O=C(O)N=NC(=O)O
InChIInChI=1S/2C5H11N.C2H2N2O4/c2*1-2-4-6-5-3-1;5-1(6)3-4-2(7)8/h2*6H,1-5H2;(H,5,6)(H,7,8)
InChIKeyZDKXGMCCHIEUHM-UHFFFAOYSA-N
XLogP2.31
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.31
H-Bond Donors ≤ 54
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 carboxyiminocarbamic acid;bis(piperidine)?
The IUPAC name of carboxyiminocarbamic acid;bis(piperidine) (CID 66707187) is carboxyiminocarbamic acid;bis(piperidine).
What is the SMILES notation for carboxyiminocarbamic acid;bis(piperidine)?
The canonical SMILES for carboxyiminocarbamic acid;bis(piperidine) is C1CCNCC1.C1CCNCC1.O=C(O)N=NC(=O)O.
What is the InChIKey of carboxyiminocarbamic acid;bis(piperidine)?
The InChIKey is ZDKXGMCCHIEUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11N.C2H2N2O4/c2*1-2-4-6-5-3-1;5-1(6)3-4-2(7)8/h2*6H,1-5H2;(H,5,6)(H,7,8).
What are the key properties of carboxyiminocarbamic acid;bis(piperidine)?
carboxyiminocarbamic acid;bis(piperidine) has a molecular weight of 288.35 g/mol, XLogP of 2.31, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carboxyiminocarbamic acid;bis(piperidine) is sourced from PubChem (CID 66707187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).