cyclopropyl-[4-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]methanone

C19H26N2O2 — CID 22375402

IUPACcyclopropyl-[4-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]methanone
SMILESCOc1ccc2c(c1)C(N1CCN(C(=O)C3CC3)CC1)CCC2
InChIInChI=1S/C19H26N2O2/c1-23-16-8-7-14-3-2-4-18(17(14)13-16)20-9-11-21(12-10-20)19(22)15-5-6-15/h7-8,13,15,18H,2-6,9-12H2,1H3
InChIKeyJLZABXYKBSYAFM-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.63
Rot. Bonds3

About cyclopropyl-[4-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]methanone

cyclopropyl-[4-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]methanone (PubChem CID 22375402) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is cyclopropyl-[4-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]methanone
PubChem CID22375402
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Namecyclopropyl-[4-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]methanone
SMILESCOc1ccc2c(c1)C(N1CCN(C(=O)C3CC3)CC1)CCC2
InChIInChI=1S/C19H26N2O2/c1-23-16-8-7-14-3-2-4-18(17(14)13-16)20-9-11-21(12-10-20)19(22)15-5-6-15/h7-8,13,15,18H,2-6,9-12H2,1H3
InChIKeyJLZABXYKBSYAFM-UHFFFAOYSA-N
XLogP2.63
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]methanone (CID 22375402) is cyclopropyl-[4-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]methanone is COc1ccc2c(c1)C(N1CCN(C(=O)C3CC3)CC1)CCC2.
What is the InChIKey of cyclopropyl-[4-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]methanone?
The InChIKey is JLZABXYKBSYAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-23-16-8-7-14-3-2-4-18(17(14)13-16)20-9-11-21(12-10-20)19(22)15-5-6-15/h7-8,13,15,18H,2-6,9-12H2,1H3.
What are the key properties of cyclopropyl-[4-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]methanone?
cyclopropyl-[4-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]methanone has a molecular weight of 314.43 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 22375402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).