2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide

C25H29N3O — CID 9046923

IUPAC2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(CN1CCN(Cc2cccc3ccccc23)CC1)NCCc1ccccc1
InChIInChI=1S/C25H29N3O/c29-25(26-14-13-21-7-2-1-3-8-21)20-28-17-15-27(16-18-28)19-23-11-6-10-22-9-4-5-12-24(22)23/h1-12H,13-20H2,(H,26,29)
InChIKeyXHOKRSWPHHOXLT-UHFFFAOYSA-N
MW387.53 g/mol
LogP3.32
Rot. Bonds7

About 2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide

2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 9046923) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID9046923
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(CN1CCN(Cc2cccc3ccccc23)CC1)NCCc1ccccc1
InChIInChI=1S/C25H29N3O/c29-25(26-14-13-21-7-2-1-3-8-21)20-28-17-15-27(16-18-28)19-23-11-6-10-22-9-4-5-12-24(22)23/h1-12H,13-20H2,(H,26,29)
InChIKeyXHOKRSWPHHOXLT-UHFFFAOYSA-N
XLogP3.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide (CID 9046923) is 2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide is O=C(CN1CCN(Cc2cccc3ccccc23)CC1)NCCc1ccccc1.
What is the InChIKey of 2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is XHOKRSWPHHOXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c29-25(26-14-13-21-7-2-1-3-8-21)20-28-17-15-27(16-18-28)19-23-11-6-10-22-9-4-5-12-24(22)23/h1-12H,13-20H2,(H,26,29).
What are the key properties of 2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide?
2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 387.53 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 9046923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).