5,6,7-trimethoxy-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one

C25H32N2O4 — CID 110182442

IUPAC5,6,7-trimethoxy-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1cc2c(c(OC)c1OC)CCC(CN1CCN(c3ccccc3C)CC1)C2=O
InChIInChI=1S/C25H32N2O4/c1-17-7-5-6-8-21(17)27-13-11-26(12-14-27)16-18-9-10-19-20(23(18)28)15-22(29-2)25(31-4)24(19)30-3/h5-8,15,18H,9-14,16H2,1-4H3
InChIKeyINJUZRGSVJZMJX-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.59
Rot. Bonds6

About 5,6,7-trimethoxy-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one

5,6,7-trimethoxy-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 110182442) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is 5,6,7-trimethoxy-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name5,6,7-trimethoxy-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID110182442
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name5,6,7-trimethoxy-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1cc2c(c(OC)c1OC)CCC(CN1CCN(c3ccccc3C)CC1)C2=O
InChIInChI=1S/C25H32N2O4/c1-17-7-5-6-8-21(17)27-13-11-26(12-14-27)16-18-9-10-19-20(23(18)28)15-22(29-2)25(31-4)24(19)30-3/h5-8,15,18H,9-14,16H2,1-4H3
InChIKeyINJUZRGSVJZMJX-UHFFFAOYSA-N
XLogP3.59
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5,6,7-trimethoxy-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5,6,7-trimethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 110182438
2-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5,6,7-trimethoxy-3,4-dihydro-2H-naphthalen-1-one chloride
CID 110182437
2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5,6,7-trimethoxy-3,4-dihydro-2H-naphthalen-1-one chloride
CID 110182447
2-[[(1-hydroxy-1-phenylpropan-2-yl)amino]methyl]-5,6,7-trimethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 110182450
5,6-dimethoxy-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydroinden-1-one
CID 70905609
1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986
6,7-dimethoxy-2-[[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 54259433
methyl 2-[4-(2-methylphenyl)piperazin-1-yl]acetate
CID 22200648
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 8725618
2-[(1-benzylpiperidin-4-yl)methyl]-4,5-dimethoxy-2,3-dihydroinden-1-one;hydrochloride
CID 14553545
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 8687109
2-[[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]methyl]-6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 54114379

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethoxy-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 5,6,7-trimethoxy-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one (CID 110182442) is 5,6,7-trimethoxy-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 5,6,7-trimethoxy-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 5,6,7-trimethoxy-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one is COc1cc2c(c(OC)c1OC)CCC(CN1CCN(c3ccccc3C)CC1)C2=O.
What is the InChIKey of 5,6,7-trimethoxy-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is INJUZRGSVJZMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-17-7-5-6-8-21(17)27-13-11-26(12-14-27)16-18-9-10-19-20(23(18)28)15-22(29-2)25(31-4)24(19)30-3/h5-8,15,18H,9-14,16H2,1-4H3.
What are the key properties of 5,6,7-trimethoxy-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one?
5,6,7-trimethoxy-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 424.54 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethoxy-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 110182442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).