2-(2-methylpiperidin-1-yl)-7-(thiophene-2-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C18H22N4O2S — CID 136707057

IUPAC2-(2-methylpiperidin-1-yl)-7-(thiophene-2-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC1CCCCN1c1nc2c(c(=O)[nH]1)CCN(C(=O)c1cccs1)C2
InChIInChI=1S/C18H22N4O2S/c1-12-5-2-3-8-22(12)18-19-14-11-21(9-7-13(14)16(23)20-18)17(24)15-6-4-10-25-15/h4,6,10,12H,2-3,5,7-9,11H2,1H3,(H,19,20,23)
InChIKeyGPAPDIXARVWRIB-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.41
Rot. Bonds2

About 2-(2-methylpiperidin-1-yl)-7-(thiophene-2-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

2-(2-methylpiperidin-1-yl)-7-(thiophene-2-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136707057) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 2-(2-methylpiperidin-1-yl)-7-(thiophene-2-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-methylpiperidin-1-yl)-7-(thiophene-2-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136707057
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name2-(2-methylpiperidin-1-yl)-7-(thiophene-2-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC1CCCCN1c1nc2c(c(=O)[nH]1)CCN(C(=O)c1cccs1)C2
InChIInChI=1S/C18H22N4O2S/c1-12-5-2-3-8-22(12)18-19-14-11-21(9-7-13(14)16(23)20-18)17(24)15-6-4-10-25-15/h4,6,10,12H,2-3,5,7-9,11H2,1H3,(H,19,20,23)
InChIKeyGPAPDIXARVWRIB-UHFFFAOYSA-N
XLogP2.41
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperidin-1-yl)-7-(thiophene-2-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(2-methylpiperidin-1-yl)-7-(thiophene-2-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136707057) is 2-(2-methylpiperidin-1-yl)-7-(thiophene-2-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-methylpiperidin-1-yl)-7-(thiophene-2-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-methylpiperidin-1-yl)-7-(thiophene-2-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CC1CCCCN1c1nc2c(c(=O)[nH]1)CCN(C(=O)c1cccs1)C2.
What is the InChIKey of 2-(2-methylpiperidin-1-yl)-7-(thiophene-2-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is GPAPDIXARVWRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-12-5-2-3-8-22(12)18-19-14-11-21(9-7-13(14)16(23)20-18)17(24)15-6-4-10-25-15/h4,6,10,12H,2-3,5,7-9,11H2,1H3,(H,19,20,23).
What are the key properties of 2-(2-methylpiperidin-1-yl)-7-(thiophene-2-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-(2-methylpiperidin-1-yl)-7-(thiophene-2-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 358.47 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperidin-1-yl)-7-(thiophene-2-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136707057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).