4-piperidin-4-yl-2-(2-pyridin-2-ylethyl)-1H-pyrimidin-6-one

C16H20N4O — CID 135858687

IUPAC4-piperidin-4-yl-2-(2-pyridin-2-ylethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C2CCNCC2)nc(CCc2ccccn2)[nH]1
InChIInChI=1S/C16H20N4O/c21-16-11-14(12-6-9-17-10-7-12)19-15(20-16)5-4-13-3-1-2-8-18-13/h1-3,8,11-12,17H,4-7,9-10H2,(H,19,20,21)
InChIKeyJZFZGERYFUNWJY-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.42
Rot. Bonds4

About 4-piperidin-4-yl-2-(2-pyridin-2-ylethyl)-1H-pyrimidin-6-one

4-piperidin-4-yl-2-(2-pyridin-2-ylethyl)-1H-pyrimidin-6-one (PubChem CID 135858687) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-piperidin-4-yl-2-(2-pyridin-2-ylethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-piperidin-4-yl-2-(2-pyridin-2-ylethyl)-1H-pyrimidin-6-one
PubChem CID135858687
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-piperidin-4-yl-2-(2-pyridin-2-ylethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C2CCNCC2)nc(CCc2ccccn2)[nH]1
InChIInChI=1S/C16H20N4O/c21-16-11-14(12-6-9-17-10-7-12)19-15(20-16)5-4-13-3-1-2-8-18-13/h1-3,8,11-12,17H,4-7,9-10H2,(H,19,20,21)
InChIKeyJZFZGERYFUNWJY-UHFFFAOYSA-N
XLogP1.42
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yl-2-(2-pyridin-2-ylethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-piperidin-4-yl-2-(2-pyridin-2-ylethyl)-1H-pyrimidin-6-one (CID 135858687) is 4-piperidin-4-yl-2-(2-pyridin-2-ylethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-piperidin-4-yl-2-(2-pyridin-2-ylethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-piperidin-4-yl-2-(2-pyridin-2-ylethyl)-1H-pyrimidin-6-one is O=c1cc(C2CCNCC2)nc(CCc2ccccn2)[nH]1.
What is the InChIKey of 4-piperidin-4-yl-2-(2-pyridin-2-ylethyl)-1H-pyrimidin-6-one?
The InChIKey is JZFZGERYFUNWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c21-16-11-14(12-6-9-17-10-7-12)19-15(20-16)5-4-13-3-1-2-8-18-13/h1-3,8,11-12,17H,4-7,9-10H2,(H,19,20,21).
What are the key properties of 4-piperidin-4-yl-2-(2-pyridin-2-ylethyl)-1H-pyrimidin-6-one?
4-piperidin-4-yl-2-(2-pyridin-2-ylethyl)-1H-pyrimidin-6-one has a molecular weight of 284.36 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yl-2-(2-pyridin-2-ylethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135858687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).