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

C16H16N4OS — CID 135630035

IUPAC2-piperidin-1-yl-5-thiophen-3-yl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCCCC2)nc2nccc(-c3ccsc3)c12
InChIInChI=1S/C16H16N4OS/c21-15-13-12(11-5-9-22-10-11)4-6-17-14(13)18-16(19-15)20-7-2-1-3-8-20/h4-6,9-10H,1-3,7-8H2,(H,17,18,19,21)
InChIKeyLKOXLJGHJJOFIY-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.04
Rot. Bonds2

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

2-piperidin-1-yl-5-thiophen-3-yl-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135630035) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 2-piperidin-1-yl-5-thiophen-3-yl-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-piperidin-1-yl-5-thiophen-3-yl-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135630035
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name2-piperidin-1-yl-5-thiophen-3-yl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCCCC2)nc2nccc(-c3ccsc3)c12
InChIInChI=1S/C16H16N4OS/c21-15-13-12(11-5-9-22-10-11)4-6-17-14(13)18-16(19-15)20-7-2-1-3-8-20/h4-6,9-10H,1-3,7-8H2,(H,17,18,19,21)
InChIKeyLKOXLJGHJJOFIY-UHFFFAOYSA-N
XLogP3.04
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-5-thiophen-3-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-piperidin-1-yl-5-thiophen-3-yl-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135630035) is 2-piperidin-1-yl-5-thiophen-3-yl-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-piperidin-1-yl-5-thiophen-3-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-piperidin-1-yl-5-thiophen-3-yl-3H-pyrido[2,3-d]pyrimidin-4-one is O=c1[nH]c(N2CCCCC2)nc2nccc(-c3ccsc3)c12.
What is the InChIKey of 2-piperidin-1-yl-5-thiophen-3-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is LKOXLJGHJJOFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c21-15-13-12(11-5-9-22-10-11)4-6-17-14(13)18-16(19-15)20-7-2-1-3-8-20/h4-6,9-10H,1-3,7-8H2,(H,17,18,19,21).
What are the key properties of 2-piperidin-1-yl-5-thiophen-3-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
2-piperidin-1-yl-5-thiophen-3-yl-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 312.40 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-5-thiophen-3-yl-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135630035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).