4-[4-(tetrazol-1-ylmethyl)cyclohexanecarbonyl]piperazin-2-one

C13H20N6O2 — CID 51044830

IUPAC4-[4-(tetrazol-1-ylmethyl)cyclohexanecarbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)C2CCC(Cn3cnnn3)CC2)CCN1
InChIInChI=1S/C13H20N6O2/c20-12-8-18(6-5-14-12)13(21)11-3-1-10(2-4-11)7-19-9-15-16-17-19/h9-11H,1-8H2,(H,14,20)
InChIKeyYAJMMKIPMCAVQJ-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.56
Rot. Bonds3

About 4-[4-(tetrazol-1-ylmethyl)cyclohexanecarbonyl]piperazin-2-one

4-[4-(tetrazol-1-ylmethyl)cyclohexanecarbonyl]piperazin-2-one (PubChem CID 51044830) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-[4-(tetrazol-1-ylmethyl)cyclohexanecarbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[4-(tetrazol-1-ylmethyl)cyclohexanecarbonyl]piperazin-2-one
PubChem CID51044830
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name4-[4-(tetrazol-1-ylmethyl)cyclohexanecarbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)C2CCC(Cn3cnnn3)CC2)CCN1
InChIInChI=1S/C13H20N6O2/c20-12-8-18(6-5-14-12)13(21)11-3-1-10(2-4-11)7-19-9-15-16-17-19/h9-11H,1-8H2,(H,14,20)
InChIKeyYAJMMKIPMCAVQJ-UHFFFAOYSA-N
XLogP-0.56
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(tetrazol-1-ylmethyl)cyclohexanecarbonyl]piperazin-2-one?
The IUPAC name of 4-[4-(tetrazol-1-ylmethyl)cyclohexanecarbonyl]piperazin-2-one (CID 51044830) is 4-[4-(tetrazol-1-ylmethyl)cyclohexanecarbonyl]piperazin-2-one.
What is the SMILES notation for 4-[4-(tetrazol-1-ylmethyl)cyclohexanecarbonyl]piperazin-2-one?
The canonical SMILES for 4-[4-(tetrazol-1-ylmethyl)cyclohexanecarbonyl]piperazin-2-one is O=C1CN(C(=O)C2CCC(Cn3cnnn3)CC2)CCN1.
What is the InChIKey of 4-[4-(tetrazol-1-ylmethyl)cyclohexanecarbonyl]piperazin-2-one?
The InChIKey is YAJMMKIPMCAVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c20-12-8-18(6-5-14-12)13(21)11-3-1-10(2-4-11)7-19-9-15-16-17-19/h9-11H,1-8H2,(H,14,20).
What are the key properties of 4-[4-(tetrazol-1-ylmethyl)cyclohexanecarbonyl]piperazin-2-one?
4-[4-(tetrazol-1-ylmethyl)cyclohexanecarbonyl]piperazin-2-one has a molecular weight of 292.34 g/mol, XLogP of -0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(tetrazol-1-ylmethyl)cyclohexanecarbonyl]piperazin-2-one is sourced from PubChem (CID 51044830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).