5-phenyl-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one

C18H18N4O — CID 135873029

IUPAC5-phenyl-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCCCC2)nc2nccc(-c3ccccc3)c12
InChIInChI=1S/C18H18N4O/c23-17-15-14(13-7-3-1-4-8-13)9-10-19-16(15)20-18(21-17)22-11-5-2-6-12-22/h1,3-4,7-10H,2,5-6,11-12H2,(H,19,20,21,23)
InChIKeyJYYYZJGVMQPJCW-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.98
Rot. Bonds2

About 5-phenyl-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one

5-phenyl-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135873029) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-phenyl-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-phenyl-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135873029
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name5-phenyl-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCCCC2)nc2nccc(-c3ccccc3)c12
InChIInChI=1S/C18H18N4O/c23-17-15-14(13-7-3-1-4-8-13)9-10-19-16(15)20-18(21-17)22-11-5-2-6-12-22/h1,3-4,7-10H,2,5-6,11-12H2,(H,19,20,21,23)
InChIKeyJYYYZJGVMQPJCW-UHFFFAOYSA-N
XLogP2.98
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-phenyl-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135873029) is 5-phenyl-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-phenyl-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-phenyl-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one is O=c1[nH]c(N2CCCCC2)nc2nccc(-c3ccccc3)c12.
What is the InChIKey of 5-phenyl-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is JYYYZJGVMQPJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c23-17-15-14(13-7-3-1-4-8-13)9-10-19-16(15)20-18(21-17)22-11-5-2-6-12-22/h1,3-4,7-10H,2,5-6,11-12H2,(H,19,20,21,23).
What are the key properties of 5-phenyl-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
5-phenyl-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 306.37 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135873029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).