carbon monoxide;molybdenum;bis(piperidine)

C14H22MoN2O4 — CID 10937722

IUPACcarbon monoxide;molybdenum;bis(piperidine)
SMILESC1CCNCC1.C1CCNCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo]
InChIInChI=1S/2C5H11N.4CO.Mo/c2*1-2-4-6-5-3-1;4*1-2;/h2*6H,1-5H2;;;;;
InChIKeyXRSVCXQJBZNXSL-UHFFFAOYSA-N
MW378.28 g/mol
LogP1.37
Rot. Bonds

About carbon monoxide;molybdenum;bis(piperidine)

carbon monoxide;molybdenum;bis(piperidine) (PubChem CID 10937722) has the molecular formula C14H22MoN2O4 and a molecular weight of 378.28 g/mol. Its IUPAC name is carbon monoxide;molybdenum;bis(piperidine).

Molecular Properties

Compound Namecarbon monoxide;molybdenum;bis(piperidine)
PubChem CID10937722
Molecular FormulaC14H22MoN2O4
Molecular Weight378.28 g/mol
Exact Mass380.06
IUPAC Namecarbon monoxide;molybdenum;bis(piperidine)
SMILESC1CCNCC1.C1CCNCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo]
InChIInChI=1S/2C5H11N.4CO.Mo/c2*1-2-4-6-5-3-1;4*1-2;/h2*6H,1-5H2;;;;;
InChIKeyXRSVCXQJBZNXSL-UHFFFAOYSA-N
XLogP1.37
TPSA103.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.28
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze carbon monoxide;molybdenum;bis(piperidine) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Carbon monoxide;molybdenum;piperidine
CID 12593331
Carbon monoxide;molybdenum(2+);bis(piperidin-1-ide)
CID 131856980
Bis(piperidine);hydrate
CID 18621621
CID 57471855
CID 57471855
Ethane;bis(piperidine)
CID 68008440
Ethanamine;bis(piperidine)
CID 68127998
Methane;bis(piperidine)
CID 68828526
Bis(piperidin-1-ium);carbonate
CID 69100409
Bis(piperidin-1-ium);sulfate
CID 69594124
Bis(piperidin-1-ium) dihydroxide
CID 70134534
Palladium;bis(piperidine)
CID 88193174
Bis(piperidine);platinum
CID 88193175

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;molybdenum;bis(piperidine)?
The IUPAC name of carbon monoxide;molybdenum;bis(piperidine) (CID 10937722) is carbon monoxide;molybdenum;bis(piperidine).
What is the SMILES notation for carbon monoxide;molybdenum;bis(piperidine)?
The canonical SMILES for carbon monoxide;molybdenum;bis(piperidine) is C1CCNCC1.C1CCNCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo].
What is the InChIKey of carbon monoxide;molybdenum;bis(piperidine)?
The InChIKey is XRSVCXQJBZNXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11N.4CO.Mo/c2*1-2-4-6-5-3-1;4*1-2;/h2*6H,1-5H2;;;;;.
What are the key properties of carbon monoxide;molybdenum;bis(piperidine)?
carbon monoxide;molybdenum;bis(piperidine) has a molecular weight of 378.28 g/mol, XLogP of 1.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;molybdenum;bis(piperidine) is sourced from PubChem (CID 10937722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).