1-methyl-4-[7-[(2-methylphenyl)-thiophen-2-ylmethoxy]naphthalen-1-yl]piperazine

C27H28N2OS — CID 174316421

IUPAC1-methyl-4-[7-[(2-methylphenyl)-thiophen-2-ylmethoxy]naphthalen-1-yl]piperazine
SMILESCc1ccccc1C(Oc1ccc2cccc(N3CCN(C)CC3)c2c1)c1cccs1
InChIInChI=1S/C27H28N2OS/c1-20-7-3-4-9-23(20)27(26-11-6-18-31-26)30-22-13-12-21-8-5-10-25(24(21)19-22)29-16-14-28(2)15-17-29/h3-13,18-19,27H,14-17H2,1-2H3
InChIKeyNWLQXUKGYBRYLD-UHFFFAOYSA-N
MW428.60 g/mol
LogP6.13
Rot. Bonds5

About 1-methyl-4-[7-[(2-methylphenyl)-thiophen-2-ylmethoxy]naphthalen-1-yl]piperazine

1-methyl-4-[7-[(2-methylphenyl)-thiophen-2-ylmethoxy]naphthalen-1-yl]piperazine (PubChem CID 174316421) has the molecular formula C27H28N2OS and a molecular weight of 428.60 g/mol. Its IUPAC name is 1-methyl-4-[7-[(2-methylphenyl)-thiophen-2-ylmethoxy]naphthalen-1-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[7-[(2-methylphenyl)-thiophen-2-ylmethoxy]naphthalen-1-yl]piperazine
PubChem CID174316421
Molecular FormulaC27H28N2OS
Molecular Weight428.60 g/mol
Exact Mass428.19
IUPAC Name1-methyl-4-[7-[(2-methylphenyl)-thiophen-2-ylmethoxy]naphthalen-1-yl]piperazine
SMILESCc1ccccc1C(Oc1ccc2cccc(N3CCN(C)CC3)c2c1)c1cccs1
InChIInChI=1S/C27H28N2OS/c1-20-7-3-4-9-23(20)27(26-11-6-18-31-26)30-22-13-12-21-8-5-10-25(24(21)19-22)29-16-14-28(2)15-17-29/h3-13,18-19,27H,14-17H2,1-2H3
InChIKeyNWLQXUKGYBRYLD-UHFFFAOYSA-N
XLogP6.13
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.60
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-[7-[(2-methylphenyl)-thiophen-2-ylmethoxy]naphthalen-1-yl]piperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[7-[(2-methylphenyl)-thiophen-2-ylmethoxy]naphthalen-1-yl]piperazine?
The IUPAC name of 1-methyl-4-[7-[(2-methylphenyl)-thiophen-2-ylmethoxy]naphthalen-1-yl]piperazine (CID 174316421) is 1-methyl-4-[7-[(2-methylphenyl)-thiophen-2-ylmethoxy]naphthalen-1-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[7-[(2-methylphenyl)-thiophen-2-ylmethoxy]naphthalen-1-yl]piperazine?
The canonical SMILES for 1-methyl-4-[7-[(2-methylphenyl)-thiophen-2-ylmethoxy]naphthalen-1-yl]piperazine is Cc1ccccc1C(Oc1ccc2cccc(N3CCN(C)CC3)c2c1)c1cccs1.
What is the InChIKey of 1-methyl-4-[7-[(2-methylphenyl)-thiophen-2-ylmethoxy]naphthalen-1-yl]piperazine?
The InChIKey is NWLQXUKGYBRYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2OS/c1-20-7-3-4-9-23(20)27(26-11-6-18-31-26)30-22-13-12-21-8-5-10-25(24(21)19-22)29-16-14-28(2)15-17-29/h3-13,18-19,27H,14-17H2,1-2H3.
What are the key properties of 1-methyl-4-[7-[(2-methylphenyl)-thiophen-2-ylmethoxy]naphthalen-1-yl]piperazine?
1-methyl-4-[7-[(2-methylphenyl)-thiophen-2-ylmethoxy]naphthalen-1-yl]piperazine has a molecular weight of 428.60 g/mol, XLogP of 6.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[7-[(2-methylphenyl)-thiophen-2-ylmethoxy]naphthalen-1-yl]piperazine is sourced from PubChem (CID 174316421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).