2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C23H28ClN3O — CID 4613354

IUPAC2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCc1ccc(Cl)cc1N1CCN(CC(=O)NC2CCCc3ccccc32)CC1
InChIInChI=1S/C23H28ClN3O/c1-17-9-10-19(24)15-22(17)27-13-11-26(12-14-27)16-23(28)25-21-8-4-6-18-5-2-3-7-20(18)21/h2-3,5,7,9-10,15,21H,4,6,8,11-14,16H2,1H3,(H,25,28)
InChIKeyVTOWZCKBJXTYMT-UHFFFAOYSA-N
MW397.95 g/mol
LogP3.96
Rot. Bonds4

About 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 4613354) has the molecular formula C23H28ClN3O and a molecular weight of 397.95 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID4613354
Molecular FormulaC23H28ClN3O
Molecular Weight397.95 g/mol
Exact Mass397.19
IUPAC Name2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCc1ccc(Cl)cc1N1CCN(CC(=O)NC2CCCc3ccccc32)CC1
InChIInChI=1S/C23H28ClN3O/c1-17-9-10-19(24)15-22(17)27-13-11-26(12-14-27)16-23(28)25-21-8-4-6-18-5-2-3-7-20(18)21/h2-3,5,7,9-10,15,21H,4,6,8,11-14,16H2,1H3,(H,25,28)
InChIKeyVTOWZCKBJXTYMT-UHFFFAOYSA-N
XLogP3.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 4613354) is 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is Cc1ccc(Cl)cc1N1CCN(CC(=O)NC2CCCc3ccccc32)CC1.
What is the InChIKey of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is VTOWZCKBJXTYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O/c1-17-9-10-19(24)15-22(17)27-13-11-26(12-14-27)16-23(28)25-21-8-4-6-18-5-2-3-7-20(18)21/h2-3,5,7,9-10,15,21H,4,6,8,11-14,16H2,1H3,(H,25,28).
What are the key properties of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 397.95 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 4613354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).