3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one

C22H26N2O2 — CID 15021875

IUPAC3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccccc1N1CCN(CC2CC(=O)c3ccccc3C2)CC1
InChIInChI=1S/C22H26N2O2/c1-26-22-9-5-4-8-20(22)24-12-10-23(11-13-24)16-17-14-18-6-2-3-7-19(18)21(25)15-17/h2-9,17H,10-16H2,1H3
InChIKeyUMEYBQLIJXNFOT-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.26
Rot. Bonds4

About 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one

3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 15021875) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID15021875
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccccc1N1CCN(CC2CC(=O)c3ccccc3C2)CC1
InChIInChI=1S/C22H26N2O2/c1-26-22-9-5-4-8-20(22)24-12-10-23(11-13-24)16-17-14-18-6-2-3-7-19(18)21(25)15-17/h2-9,17H,10-16H2,1H3
InChIKeyUMEYBQLIJXNFOT-UHFFFAOYSA-N
XLogP3.26
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one (CID 15021875) is 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one is COc1ccccc1N1CCN(CC2CC(=O)c3ccccc3C2)CC1.
What is the InChIKey of 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is UMEYBQLIJXNFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-26-22-9-5-4-8-20(22)24-12-10-23(11-13-24)16-17-14-18-6-2-3-7-19(18)21(25)15-17/h2-9,17H,10-16H2,1H3.
What are the key properties of 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one?
3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 350.46 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 15021875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).