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

C17H24N4O3 — CID 136796538

IUPAC7-acetyl-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCC(=O)N1CCCCC1c1nc2c(c(=O)[nH]1)CCN(C(C)=O)C2
InChIInChI=1S/C17H24N4O3/c1-3-15(23)21-8-5-4-6-14(21)16-18-13-10-20(11(2)22)9-7-12(13)17(24)19-16/h14H,3-10H2,1-2H3,(H,18,19,24)
InChIKeyYURVJLCWCDNJAH-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.14
Rot. Bonds2

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

7-acetyl-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136796538) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 7-acetyl-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-acetyl-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136796538
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name7-acetyl-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCC(=O)N1CCCCC1c1nc2c(c(=O)[nH]1)CCN(C(C)=O)C2
InChIInChI=1S/C17H24N4O3/c1-3-15(23)21-8-5-4-6-14(21)16-18-13-10-20(11(2)22)9-7-12(13)17(24)19-16/h14H,3-10H2,1-2H3,(H,18,19,24)
InChIKeyYURVJLCWCDNJAH-UHFFFAOYSA-N
XLogP1.14
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-acetyl-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-acetyl-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136796538) is 7-acetyl-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-acetyl-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-acetyl-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(C(C)=O)C2.
What is the InChIKey of 7-acetyl-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is YURVJLCWCDNJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-3-15(23)21-8-5-4-6-14(21)16-18-13-10-20(11(2)22)9-7-12(13)17(24)19-16/h14H,3-10H2,1-2H3,(H,18,19,24).
What are the key properties of 7-acetyl-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-acetyl-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 332.40 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136796538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).