N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methyl]acetamide

C22H24N4O — CID 44551057

IUPACN-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1
InChIInChI=1S/C22H24N4O/c1-16(27)24-15-17-9-12-26(13-10-17)22-23-11-8-21(25-22)20-7-6-18-4-2-3-5-19(18)14-20/h2-8,11,14,17H,9-10,12-13,15H2,1H3,(H,24,27)
InChIKeyBIJLDOOVHGOJNC-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.65
Rot. Bonds4

About N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methyl]acetamide

N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methyl]acetamide (PubChem CID 44551057) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methyl]acetamide
PubChem CID44551057
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1
InChIInChI=1S/C22H24N4O/c1-16(27)24-15-17-9-12-26(13-10-17)22-23-11-8-21(25-22)20-7-6-18-4-2-3-5-19(18)14-20/h2-8,11,14,17H,9-10,12-13,15H2,1H3,(H,24,27)
InChIKeyBIJLDOOVHGOJNC-UHFFFAOYSA-N
XLogP3.65
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methyl]acetamide (CID 44551057) is N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1.
What is the InChIKey of N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methyl]acetamide?
The InChIKey is BIJLDOOVHGOJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16(27)24-15-17-9-12-26(13-10-17)22-23-11-8-21(25-22)20-7-6-18-4-2-3-5-19(18)14-20/h2-8,11,14,17H,9-10,12-13,15H2,1H3,(H,24,27).
What are the key properties of N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methyl]acetamide?
N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methyl]acetamide has a molecular weight of 360.46 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 44551057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).