cyclopropyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C15H20N2O2 — CID 868767

IUPACcyclopropyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C15H20N2O2/c1-19-14-5-3-2-4-13(14)16-8-10-17(11-9-16)15(18)12-6-7-12/h2-5,12H,6-11H2,1H3
InChIKeyWHBMBVUJPPGHBQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.75
Rot. Bonds3

About cyclopropyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

cyclopropyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 868767) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is cyclopropyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID868767
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Namecyclopropyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C15H20N2O2/c1-19-14-5-3-2-4-13(14)16-8-10-17(11-9-16)15(18)12-6-7-12/h2-5,12H,6-11H2,1H3
InChIKeyWHBMBVUJPPGHBQ-UHFFFAOYSA-N
XLogP1.75
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 868767) is cyclopropyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is WHBMBVUJPPGHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-19-14-5-3-2-4-13(14)16-8-10-17(11-9-16)15(18)12-6-7-12/h2-5,12H,6-11H2,1H3.
What are the key properties of cyclopropyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
cyclopropyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 260.34 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 868767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).