cyclohexyl-(4-pyridin-2-ylpiperazin-1-yl)methanone

C16H23N3O — CID 759041

IUPACcyclohexyl-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(C1CCCCC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H23N3O/c20-16(14-6-2-1-3-7-14)19-12-10-18(11-13-19)15-8-4-5-9-17-15/h4-5,8-9,14H,1-3,6-7,10-13H2
InChIKeyDXUYFXQIWIBLDS-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.31
Rot. Bonds2

About cyclohexyl-(4-pyridin-2-ylpiperazin-1-yl)methanone

cyclohexyl-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 759041) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is cyclohexyl-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID759041
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Namecyclohexyl-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(C1CCCCC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H23N3O/c20-16(14-6-2-1-3-7-14)19-12-10-18(11-13-19)15-8-4-5-9-17-15/h4-5,8-9,14H,1-3,6-7,10-13H2
InChIKeyDXUYFXQIWIBLDS-UHFFFAOYSA-N
XLogP2.31
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of cyclohexyl-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 759041) is cyclohexyl-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for cyclohexyl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for cyclohexyl-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(C1CCCCC1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of cyclohexyl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is DXUYFXQIWIBLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c20-16(14-6-2-1-3-7-14)19-12-10-18(11-13-19)15-8-4-5-9-17-15/h4-5,8-9,14H,1-3,6-7,10-13H2.
What are the key properties of cyclohexyl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
cyclohexyl-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 273.38 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 759041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).