4-methyl-N-[8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide

C23H29N3O — CID 91539814

IUPAC4-methyl-N-[8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)C(N2CCN(C)CC2)CCC3)cc1
InChIInChI=1S/C23H29N3O/c1-17-6-8-19(9-7-17)23(27)24-20-11-10-18-4-3-5-22(21(18)16-20)26-14-12-25(2)13-15-26/h6-11,16,22H,3-5,12-15H2,1-2H3,(H,24,27)
InChIKeyXMUVIGXBXKEMAZ-UHFFFAOYSA-N
MW363.51 g/mol
LogP3.87
Rot. Bonds3

About 4-methyl-N-[8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide

4-methyl-N-[8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide (PubChem CID 91539814) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 4-methyl-N-[8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide
PubChem CID91539814
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name4-methyl-N-[8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)C(N2CCN(C)CC2)CCC3)cc1
InChIInChI=1S/C23H29N3O/c1-17-6-8-19(9-7-17)23(27)24-20-11-10-18-4-3-5-22(21(18)16-20)26-14-12-25(2)13-15-26/h6-11,16,22H,3-5,12-15H2,1-2H3,(H,24,27)
InChIKeyXMUVIGXBXKEMAZ-UHFFFAOYSA-N
XLogP3.87
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-[8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide 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 4-methyl-N-[8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide?
The IUPAC name of 4-methyl-N-[8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide (CID 91539814) is 4-methyl-N-[8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide?
The canonical SMILES for 4-methyl-N-[8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide is Cc1ccc(C(=O)Nc2ccc3c(c2)C(N2CCN(C)CC2)CCC3)cc1.
What is the InChIKey of 4-methyl-N-[8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide?
The InChIKey is XMUVIGXBXKEMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-17-6-8-19(9-7-17)23(27)24-20-11-10-18-4-3-5-22(21(18)16-20)26-14-12-25(2)13-15-26/h6-11,16,22H,3-5,12-15H2,1-2H3,(H,24,27).
What are the key properties of 4-methyl-N-[8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide?
4-methyl-N-[8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide has a molecular weight of 363.51 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide is sourced from PubChem (CID 91539814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).