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

C12H18N6O2 — CID 45491743

IUPAC4-[1-(tetrazol-1-yl)cyclohexanecarbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)C2(n3cnnn3)CCCCC2)CCN1
InChIInChI=1S/C12H18N6O2/c19-10-8-17(7-6-13-10)11(20)12(4-2-1-3-5-12)18-9-14-15-16-18/h9H,1-8H2,(H,13,19)
InChIKeyCSSPPBMCLKOKJM-UHFFFAOYSA-N
MW278.32 g/mol
LogP-0.71
Rot. Bonds2

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

4-[1-(tetrazol-1-yl)cyclohexanecarbonyl]piperazin-2-one (PubChem CID 45491743) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 4-[1-(tetrazol-1-yl)cyclohexanecarbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[1-(tetrazol-1-yl)cyclohexanecarbonyl]piperazin-2-one
PubChem CID45491743
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name4-[1-(tetrazol-1-yl)cyclohexanecarbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)C2(n3cnnn3)CCCCC2)CCN1
InChIInChI=1S/C12H18N6O2/c19-10-8-17(7-6-13-10)11(20)12(4-2-1-3-5-12)18-9-14-15-16-18/h9H,1-8H2,(H,13,19)
InChIKeyCSSPPBMCLKOKJM-UHFFFAOYSA-N
XLogP-0.71
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(tetrazol-1-yl)cyclohexanecarbonyl]piperazin-2-one?
The IUPAC name of 4-[1-(tetrazol-1-yl)cyclohexanecarbonyl]piperazin-2-one (CID 45491743) is 4-[1-(tetrazol-1-yl)cyclohexanecarbonyl]piperazin-2-one.
What is the SMILES notation for 4-[1-(tetrazol-1-yl)cyclohexanecarbonyl]piperazin-2-one?
The canonical SMILES for 4-[1-(tetrazol-1-yl)cyclohexanecarbonyl]piperazin-2-one is O=C1CN(C(=O)C2(n3cnnn3)CCCCC2)CCN1.
What is the InChIKey of 4-[1-(tetrazol-1-yl)cyclohexanecarbonyl]piperazin-2-one?
The InChIKey is CSSPPBMCLKOKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c19-10-8-17(7-6-13-10)11(20)12(4-2-1-3-5-12)18-9-14-15-16-18/h9H,1-8H2,(H,13,19).
What are the key properties of 4-[1-(tetrazol-1-yl)cyclohexanecarbonyl]piperazin-2-one?
4-[1-(tetrazol-1-yl)cyclohexanecarbonyl]piperazin-2-one has a molecular weight of 278.32 g/mol, XLogP of -0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(tetrazol-1-yl)cyclohexanecarbonyl]piperazin-2-one is sourced from PubChem (CID 45491743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).