2-piperidin-1-yl-3H-pteridin-4-one

C11H13N5O — CID 137198974

IUPAC2-piperidin-1-yl-3H-pteridin-4-one
SMILESO=c1[nH]c(N2CCCCC2)nc2nccnc12
InChIInChI=1S/C11H13N5O/c17-10-8-9(13-5-4-12-8)14-11(15-10)16-6-2-1-3-7-16/h4-5H,1-3,6-7H2,(H,13,14,15,17)
InChIKeyQMCYBZDIGWTWQV-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.70
Rot. Bonds1

About 2-piperidin-1-yl-3H-pteridin-4-one

2-piperidin-1-yl-3H-pteridin-4-one (PubChem CID 137198974) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-piperidin-1-yl-3H-pteridin-4-one.

Molecular Properties

Compound Name2-piperidin-1-yl-3H-pteridin-4-one
PubChem CID137198974
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name2-piperidin-1-yl-3H-pteridin-4-one
SMILESO=c1[nH]c(N2CCCCC2)nc2nccnc12
InChIInChI=1S/C11H13N5O/c17-10-8-9(13-5-4-12-8)14-11(15-10)16-6-2-1-3-7-16/h4-5H,1-3,6-7H2,(H,13,14,15,17)
InChIKeyQMCYBZDIGWTWQV-UHFFFAOYSA-N
XLogP0.70
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-phenyl-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135873029
5-(2-chlorophenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135630025
5-(4-phenylphenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135659156
2-piperidin-1-yl-5-thiophen-3-yl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135630035
5-(4-bromophenyl)-2-pyrrolidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135646531
2-(azepan-1-yl)-5-bromo-1H-pyrimidin-6-one
CID 66316570
6-pyrrolidin-1-yl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 166197479
2-piperidin-1-yl-5-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135994656
5-[(E)-2-(3-chlorophenyl)ethenyl]-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135994722
2-piperidin-1-yl-1H-pyrimidin-6-one
CID 1404202
2-amino-3H-pteridin-4-one;methanamine
CID 146301753
2-(propylamino)-3H-pteridin-4-one
CID 141118544

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-3H-pteridin-4-one?
The IUPAC name of 2-piperidin-1-yl-3H-pteridin-4-one (CID 137198974) is 2-piperidin-1-yl-3H-pteridin-4-one.
What is the SMILES notation for 2-piperidin-1-yl-3H-pteridin-4-one?
The canonical SMILES for 2-piperidin-1-yl-3H-pteridin-4-one is O=c1[nH]c(N2CCCCC2)nc2nccnc12.
What is the InChIKey of 2-piperidin-1-yl-3H-pteridin-4-one?
The InChIKey is QMCYBZDIGWTWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c17-10-8-9(13-5-4-12-8)14-11(15-10)16-6-2-1-3-7-16/h4-5H,1-3,6-7H2,(H,13,14,15,17).
What are the key properties of 2-piperidin-1-yl-3H-pteridin-4-one?
2-piperidin-1-yl-3H-pteridin-4-one has a molecular weight of 231.26 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-3H-pteridin-4-one is sourced from PubChem (CID 137198974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).