cyclohexyl-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]methanone

C25H38N2O2 — CID 44598067

IUPACcyclohexyl-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]methanone
SMILESCOc1cccc2c1CCCC2CCCN1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C25H38N2O2/c1-29-24-14-6-12-22-20(10-5-13-23(22)24)11-7-15-26-16-18-27(19-17-26)25(28)21-8-3-2-4-9-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
InChIKeyXEPILBQRDLHXAR-UHFFFAOYSA-N
MW398.59 g/mol
LogP4.62
Rot. Bonds6

About cyclohexyl-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]methanone

cyclohexyl-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]methanone (PubChem CID 44598067) has the molecular formula C25H38N2O2 and a molecular weight of 398.59 g/mol. Its IUPAC name is cyclohexyl-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]methanone
PubChem CID44598067
Molecular FormulaC25H38N2O2
Molecular Weight398.59 g/mol
Exact Mass398.29
IUPAC Namecyclohexyl-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]methanone
SMILESCOc1cccc2c1CCCC2CCCN1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C25H38N2O2/c1-29-24-14-6-12-22-20(10-5-13-23(22)24)11-7-15-26-16-18-27(19-17-26)25(28)21-8-3-2-4-9-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
InChIKeyXEPILBQRDLHXAR-UHFFFAOYSA-N
XLogP4.62
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.59
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]methanone (CID 44598067) is cyclohexyl-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]methanone is COc1cccc2c1CCCC2CCCN1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of cyclohexyl-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]methanone?
The InChIKey is XEPILBQRDLHXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O2/c1-29-24-14-6-12-22-20(10-5-13-23(22)24)11-7-15-26-16-18-27(19-17-26)25(28)21-8-3-2-4-9-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3.
What are the key properties of cyclohexyl-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]methanone?
cyclohexyl-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]methanone has a molecular weight of 398.59 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]methanone is sourced from PubChem (CID 44598067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).