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

C19H20N4O2 — CID 135645526

IUPAC5-(4-methoxyphenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2ccnc3nc(N4CCCCC4)[nH]c(=O)c23)cc1
InChIInChI=1S/C19H20N4O2/c1-25-14-7-5-13(6-8-14)15-9-10-20-17-16(15)18(24)22-19(21-17)23-11-3-2-4-12-23/h5-10H,2-4,11-12H2,1H3,(H,20,21,22,24)
InChIKeyPAFRKYDLWJKTNI-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.98
Rot. Bonds3

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

5-(4-methoxyphenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135645526) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135645526
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name5-(4-methoxyphenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2ccnc3nc(N4CCCCC4)[nH]c(=O)c23)cc1
InChIInChI=1S/C19H20N4O2/c1-25-14-7-5-13(6-8-14)15-9-10-20-17-16(15)18(24)22-19(21-17)23-11-3-2-4-12-23/h5-10H,2-4,11-12H2,1H3,(H,20,21,22,24)
InChIKeyPAFRKYDLWJKTNI-UHFFFAOYSA-N
XLogP2.98
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-methoxyphenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135645526) is 5-(4-methoxyphenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-methoxyphenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one is COc1ccc(-c2ccnc3nc(N4CCCCC4)[nH]c(=O)c23)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is PAFRKYDLWJKTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-25-14-7-5-13(6-8-14)15-9-10-20-17-16(15)18(24)22-19(21-17)23-11-3-2-4-12-23/h5-10H,2-4,11-12H2,1H3,(H,20,21,22,24).
What are the key properties of 5-(4-methoxyphenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
5-(4-methoxyphenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 336.40 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135645526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).