4-[1-(2-phenylpropyl)piperidin-4-yl]-2-pyrazin-2-yl-1H-pyrimidin-6-one

C22H25N5O — CID 136881400

IUPAC4-[1-(2-phenylpropyl)piperidin-4-yl]-2-pyrazin-2-yl-1H-pyrimidin-6-one
SMILESCC(CN1CCC(c2cc(=O)[nH]c(-c3cnccn3)n2)CC1)c1ccccc1
InChIInChI=1S/C22H25N5O/c1-16(17-5-3-2-4-6-17)15-27-11-7-18(8-12-27)19-13-21(28)26-22(25-19)20-14-23-9-10-24-20/h2-6,9-10,13-14,16,18H,7-8,11-12,15H2,1H3,(H,25,26,28)
InChIKeyJWGOITKGDTYYBC-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.21
Rot. Bonds5

About 4-[1-(2-phenylpropyl)piperidin-4-yl]-2-pyrazin-2-yl-1H-pyrimidin-6-one

4-[1-(2-phenylpropyl)piperidin-4-yl]-2-pyrazin-2-yl-1H-pyrimidin-6-one (PubChem CID 136881400) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 4-[1-(2-phenylpropyl)piperidin-4-yl]-2-pyrazin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(2-phenylpropyl)piperidin-4-yl]-2-pyrazin-2-yl-1H-pyrimidin-6-one
PubChem CID136881400
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name4-[1-(2-phenylpropyl)piperidin-4-yl]-2-pyrazin-2-yl-1H-pyrimidin-6-one
SMILESCC(CN1CCC(c2cc(=O)[nH]c(-c3cnccn3)n2)CC1)c1ccccc1
InChIInChI=1S/C22H25N5O/c1-16(17-5-3-2-4-6-17)15-27-11-7-18(8-12-27)19-13-21(28)26-22(25-19)20-14-23-9-10-24-20/h2-6,9-10,13-14,16,18H,7-8,11-12,15H2,1H3,(H,25,26,28)
InChIKeyJWGOITKGDTYYBC-UHFFFAOYSA-N
XLogP3.21
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-phenylpropyl)piperidin-4-yl]-2-pyrazin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(2-phenylpropyl)piperidin-4-yl]-2-pyrazin-2-yl-1H-pyrimidin-6-one (CID 136881400) is 4-[1-(2-phenylpropyl)piperidin-4-yl]-2-pyrazin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(2-phenylpropyl)piperidin-4-yl]-2-pyrazin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(2-phenylpropyl)piperidin-4-yl]-2-pyrazin-2-yl-1H-pyrimidin-6-one is CC(CN1CCC(c2cc(=O)[nH]c(-c3cnccn3)n2)CC1)c1ccccc1.
What is the InChIKey of 4-[1-(2-phenylpropyl)piperidin-4-yl]-2-pyrazin-2-yl-1H-pyrimidin-6-one?
The InChIKey is JWGOITKGDTYYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-16(17-5-3-2-4-6-17)15-27-11-7-18(8-12-27)19-13-21(28)26-22(25-19)20-14-23-9-10-24-20/h2-6,9-10,13-14,16,18H,7-8,11-12,15H2,1H3,(H,25,26,28).
What are the key properties of 4-[1-(2-phenylpropyl)piperidin-4-yl]-2-pyrazin-2-yl-1H-pyrimidin-6-one?
4-[1-(2-phenylpropyl)piperidin-4-yl]-2-pyrazin-2-yl-1H-pyrimidin-6-one has a molecular weight of 375.48 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-phenylpropyl)piperidin-4-yl]-2-pyrazin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136881400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).