7-methylsulfonyl-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C16H24N4O4S — CID 136796681

IUPAC7-methylsulfonyl-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCC(=O)N1CCCCC1c1nc2c(c(=O)[nH]1)CCN(S(C)(=O)=O)C2
InChIInChI=1S/C16H24N4O4S/c1-3-14(21)20-8-5-4-6-13(20)15-17-12-10-19(25(2,23)24)9-7-11(12)16(22)18-15/h13H,3-10H2,1-2H3,(H,17,18,22)
InChIKeyPNQOHLXVSVERKR-UHFFFAOYSA-N
MW368.46 g/mol
LogP0.55
Rot. Bonds3

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

7-methylsulfonyl-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136796681) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is 7-methylsulfonyl-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-methylsulfonyl-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136796681
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC Name7-methylsulfonyl-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCC(=O)N1CCCCC1c1nc2c(c(=O)[nH]1)CCN(S(C)(=O)=O)C2
InChIInChI=1S/C16H24N4O4S/c1-3-14(21)20-8-5-4-6-13(20)15-17-12-10-19(25(2,23)24)9-7-11(12)16(22)18-15/h13H,3-10H2,1-2H3,(H,17,18,22)
InChIKeyPNQOHLXVSVERKR-UHFFFAOYSA-N
XLogP0.55
TPSA103.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methylsulfonyl-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-methylsulfonyl-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136796681) is 7-methylsulfonyl-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-methylsulfonyl-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-methylsulfonyl-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CCC(=O)N1CCCCC1c1nc2c(c(=O)[nH]1)CCN(S(C)(=O)=O)C2.
What is the InChIKey of 7-methylsulfonyl-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is PNQOHLXVSVERKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S/c1-3-14(21)20-8-5-4-6-13(20)15-17-12-10-19(25(2,23)24)9-7-11(12)16(22)18-15/h13H,3-10H2,1-2H3,(H,17,18,22).
What are the key properties of 7-methylsulfonyl-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-methylsulfonyl-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 368.46 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfonyl-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136796681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).