3-[[4-(1-cyclopentylpiperidin-2-yl)oxyphenyl]methyl]pyrido[4,3-d]pyrimidin-4-one

C24H28N4O2 — CID 172689690

IUPAC3-[[4-(1-cyclopentylpiperidin-2-yl)oxyphenyl]methyl]pyrido[4,3-d]pyrimidin-4-one
SMILESO=c1c2cnccc2ncn1Cc1ccc(OC2CCCCN2C2CCCC2)cc1
InChIInChI=1S/C24H28N4O2/c29-24-21-15-25-13-12-22(21)26-17-27(24)16-18-8-10-20(11-9-18)30-23-7-3-4-14-28(23)19-5-1-2-6-19/h8-13,15,17,19,23H,1-7,14,16H2
InChIKeyBMYROXRYZNMUML-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.97
Rot. Bonds5

About 3-[[4-(1-cyclopentylpiperidin-2-yl)oxyphenyl]methyl]pyrido[4,3-d]pyrimidin-4-one

3-[[4-(1-cyclopentylpiperidin-2-yl)oxyphenyl]methyl]pyrido[4,3-d]pyrimidin-4-one (PubChem CID 172689690) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 3-[[4-(1-cyclopentylpiperidin-2-yl)oxyphenyl]methyl]pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[4-(1-cyclopentylpiperidin-2-yl)oxyphenyl]methyl]pyrido[4,3-d]pyrimidin-4-one
PubChem CID172689690
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name3-[[4-(1-cyclopentylpiperidin-2-yl)oxyphenyl]methyl]pyrido[4,3-d]pyrimidin-4-one
SMILESO=c1c2cnccc2ncn1Cc1ccc(OC2CCCCN2C2CCCC2)cc1
InChIInChI=1S/C24H28N4O2/c29-24-21-15-25-13-12-22(21)26-17-27(24)16-18-8-10-20(11-9-18)30-23-7-3-4-14-28(23)19-5-1-2-6-19/h8-13,15,17,19,23H,1-7,14,16H2
InChIKeyBMYROXRYZNMUML-UHFFFAOYSA-N
XLogP3.97
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1-cyclopentylpiperidin-2-yl)oxyphenyl]methyl]pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 3-[[4-(1-cyclopentylpiperidin-2-yl)oxyphenyl]methyl]pyrido[4,3-d]pyrimidin-4-one (CID 172689690) is 3-[[4-(1-cyclopentylpiperidin-2-yl)oxyphenyl]methyl]pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[4-(1-cyclopentylpiperidin-2-yl)oxyphenyl]methyl]pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[[4-(1-cyclopentylpiperidin-2-yl)oxyphenyl]methyl]pyrido[4,3-d]pyrimidin-4-one is O=c1c2cnccc2ncn1Cc1ccc(OC2CCCCN2C2CCCC2)cc1.
What is the InChIKey of 3-[[4-(1-cyclopentylpiperidin-2-yl)oxyphenyl]methyl]pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is BMYROXRYZNMUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c29-24-21-15-25-13-12-22(21)26-17-27(24)16-18-8-10-20(11-9-18)30-23-7-3-4-14-28(23)19-5-1-2-6-19/h8-13,15,17,19,23H,1-7,14,16H2.
What are the key properties of 3-[[4-(1-cyclopentylpiperidin-2-yl)oxyphenyl]methyl]pyrido[4,3-d]pyrimidin-4-one?
3-[[4-(1-cyclopentylpiperidin-2-yl)oxyphenyl]methyl]pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 404.51 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1-cyclopentylpiperidin-2-yl)oxyphenyl]methyl]pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 172689690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).