6-(2-cyclopentylacetyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C24H36N4O3 — CID 136774709

IUPAC6-(2-cyclopentylacetyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(CC1CCCC1)N1CCc2nc(C3CCN(C4CCOCC4)CC3)[nH]c(=O)c2C1
InChIInChI=1S/C24H36N4O3/c29-22(15-17-3-1-2-4-17)28-12-7-21-20(16-28)24(30)26-23(25-21)18-5-10-27(11-6-18)19-8-13-31-14-9-19/h17-19H,1-16H2,(H,25,26,30)
InChIKeyOSKAUOWRQOVWLX-UHFFFAOYSA-N
MW428.58 g/mol
LogP2.59
Rot. Bonds4

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

6-(2-cyclopentylacetyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136774709) has the molecular formula C24H36N4O3 and a molecular weight of 428.58 g/mol. Its IUPAC name is 6-(2-cyclopentylacetyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(2-cyclopentylacetyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136774709
Molecular FormulaC24H36N4O3
Molecular Weight428.58 g/mol
Exact Mass428.28
IUPAC Name6-(2-cyclopentylacetyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(CC1CCCC1)N1CCc2nc(C3CCN(C4CCOCC4)CC3)[nH]c(=O)c2C1
InChIInChI=1S/C24H36N4O3/c29-22(15-17-3-1-2-4-17)28-12-7-21-20(16-28)24(30)26-23(25-21)18-5-10-27(11-6-18)19-8-13-31-14-9-19/h17-19H,1-16H2,(H,25,26,30)
InChIKeyOSKAUOWRQOVWLX-UHFFFAOYSA-N
XLogP2.59
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopentylacetyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-(2-cyclopentylacetyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136774709) is 6-(2-cyclopentylacetyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(2-cyclopentylacetyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(2-cyclopentylacetyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=C(CC1CCCC1)N1CCc2nc(C3CCN(C4CCOCC4)CC3)[nH]c(=O)c2C1.
What is the InChIKey of 6-(2-cyclopentylacetyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is OSKAUOWRQOVWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O3/c29-22(15-17-3-1-2-4-17)28-12-7-21-20(16-28)24(30)26-23(25-21)18-5-10-27(11-6-18)19-8-13-31-14-9-19/h17-19H,1-16H2,(H,25,26,30).
What are the key properties of 6-(2-cyclopentylacetyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-(2-cyclopentylacetyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 428.58 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopentylacetyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136774709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).