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

C12H18N4O — CID 72718045

IUPACN-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide
SMILESCC(=O)NCc1nccc(N2CCCCC2)n1
InChIInChI=1S/C12H18N4O/c1-10(17)14-9-11-13-6-5-12(15-11)16-7-3-2-4-8-16/h5-6H,2-4,7-9H2,1H3,(H,14,17)
InChIKeyCQHLNQTVZSNGFX-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.10
Rot. Bonds3

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

N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide (PubChem CID 72718045) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide
PubChem CID72718045
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide
SMILESCC(=O)NCc1nccc(N2CCCCC2)n1
InChIInChI=1S/C12H18N4O/c1-10(17)14-9-11-13-6-5-12(15-11)16-7-3-2-4-8-16/h5-6H,2-4,7-9H2,1H3,(H,14,17)
InChIKeyCQHLNQTVZSNGFX-UHFFFAOYSA-N
XLogP1.10
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide?
The IUPAC name of N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide (CID 72718045) is N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide?
The canonical SMILES for N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide is CC(=O)NCc1nccc(N2CCCCC2)n1.
What is the InChIKey of N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide?
The InChIKey is CQHLNQTVZSNGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-10(17)14-9-11-13-6-5-12(15-11)16-7-3-2-4-8-16/h5-6H,2-4,7-9H2,1H3,(H,14,17).
What are the key properties of N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide?
N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide has a molecular weight of 234.30 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide is sourced from PubChem (CID 72718045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).