3-(2-piperidin-1-ylethyl)pyrido[3,4-d]pyrimidin-4-one

C14H18N4O — CID 99841378

IUPAC3-(2-piperidin-1-ylethyl)pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2ccncc2ncn1CCN1CCCCC1
InChIInChI=1S/C14H18N4O/c19-14-12-4-5-15-10-13(12)16-11-18(14)9-8-17-6-2-1-3-7-17/h4-5,10-11H,1-3,6-9H2
InChIKeyRPITYEISJUJJHW-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.28
Rot. Bonds3

About 3-(2-piperidin-1-ylethyl)pyrido[3,4-d]pyrimidin-4-one

3-(2-piperidin-1-ylethyl)pyrido[3,4-d]pyrimidin-4-one (PubChem CID 99841378) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(2-piperidin-1-ylethyl)pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-piperidin-1-ylethyl)pyrido[3,4-d]pyrimidin-4-one
PubChem CID99841378
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-(2-piperidin-1-ylethyl)pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2ccncc2ncn1CCN1CCCCC1
InChIInChI=1S/C14H18N4O/c19-14-12-4-5-15-10-13(12)16-11-18(14)9-8-17-6-2-1-3-7-17/h4-5,10-11H,1-3,6-9H2
InChIKeyRPITYEISJUJJHW-UHFFFAOYSA-N
XLogP1.28
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-1-ylethyl)pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-(2-piperidin-1-ylethyl)pyrido[3,4-d]pyrimidin-4-one (CID 99841378) is 3-(2-piperidin-1-ylethyl)pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-piperidin-1-ylethyl)pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-piperidin-1-ylethyl)pyrido[3,4-d]pyrimidin-4-one is O=c1c2ccncc2ncn1CCN1CCCCC1.
What is the InChIKey of 3-(2-piperidin-1-ylethyl)pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is RPITYEISJUJJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c19-14-12-4-5-15-10-13(12)16-11-18(14)9-8-17-6-2-1-3-7-17/h4-5,10-11H,1-3,6-9H2.
What are the key properties of 3-(2-piperidin-1-ylethyl)pyrido[3,4-d]pyrimidin-4-one?
3-(2-piperidin-1-ylethyl)pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 258.32 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-1-ylethyl)pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 99841378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).