2-(4-methylpiperidin-1-yl)-N-naphthalen-2-ylacetamide

C18H22N2O — CID 748389

IUPAC2-(4-methylpiperidin-1-yl)-N-naphthalen-2-ylacetamide
SMILESCC1CCN(CC(=O)Nc2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H22N2O/c1-14-8-10-20(11-9-14)13-18(21)19-17-7-6-15-4-2-3-5-16(15)12-17/h2-7,12,14H,8-11,13H2,1H3,(H,19,21)
InChIKeyNLYDGRAKTGLDJJ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.51
Rot. Bonds3

About 2-(4-methylpiperidin-1-yl)-N-naphthalen-2-ylacetamide

2-(4-methylpiperidin-1-yl)-N-naphthalen-2-ylacetamide (PubChem CID 748389) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-N-naphthalen-2-ylacetamide
PubChem CID748389
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-(4-methylpiperidin-1-yl)-N-naphthalen-2-ylacetamide
SMILESCC1CCN(CC(=O)Nc2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H22N2O/c1-14-8-10-20(11-9-14)13-18(21)19-17-7-6-15-4-2-3-5-16(15)12-17/h2-7,12,14H,8-11,13H2,1H3,(H,19,21)
InChIKeyNLYDGRAKTGLDJJ-UHFFFAOYSA-N
XLogP3.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-N-naphthalen-2-ylacetamide (CID 748389) is 2-(4-methylpiperidin-1-yl)-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-N-naphthalen-2-ylacetamide is CC1CCN(CC(=O)Nc2ccc3ccccc3c2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-N-naphthalen-2-ylacetamide?
The InChIKey is NLYDGRAKTGLDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14-8-10-20(11-9-14)13-18(21)19-17-7-6-15-4-2-3-5-16(15)12-17/h2-7,12,14H,8-11,13H2,1H3,(H,19,21).
What are the key properties of 2-(4-methylpiperidin-1-yl)-N-naphthalen-2-ylacetamide?
2-(4-methylpiperidin-1-yl)-N-naphthalen-2-ylacetamide has a molecular weight of 282.39 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 748389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).