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

C23H34N4O3 — CID 136774698

IUPAC6-(cyclopentanecarbonyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(C1CCCC1)N1CCc2nc(C3CCN(C4CCOCC4)CC3)[nH]c(=O)c2C1
InChIInChI=1S/C23H34N4O3/c28-22-19-15-27(23(29)17-3-1-2-4-17)12-7-20(19)24-21(25-22)16-5-10-26(11-6-16)18-8-13-30-14-9-18/h16-18H,1-15H2,(H,24,25,28)
InChIKeyWYVZJDREURGMIN-UHFFFAOYSA-N
MW414.55 g/mol
LogP2.20
Rot. Bonds3

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

6-(cyclopentanecarbonyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136774698) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is 6-(cyclopentanecarbonyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(cyclopentanecarbonyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136774698
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC Name6-(cyclopentanecarbonyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(C1CCCC1)N1CCc2nc(C3CCN(C4CCOCC4)CC3)[nH]c(=O)c2C1
InChIInChI=1S/C23H34N4O3/c28-22-19-15-27(23(29)17-3-1-2-4-17)12-7-20(19)24-21(25-22)16-5-10-26(11-6-16)18-8-13-30-14-9-18/h16-18H,1-15H2,(H,24,25,28)
InChIKeyWYVZJDREURGMIN-UHFFFAOYSA-N
XLogP2.20
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentanecarbonyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-(cyclopentanecarbonyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136774698) is 6-(cyclopentanecarbonyl)-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-(cyclopentanecarbonyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(cyclopentanecarbonyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=C(C1CCCC1)N1CCc2nc(C3CCN(C4CCOCC4)CC3)[nH]c(=O)c2C1.
What is the InChIKey of 6-(cyclopentanecarbonyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is WYVZJDREURGMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c28-22-19-15-27(23(29)17-3-1-2-4-17)12-7-20(19)24-21(25-22)16-5-10-26(11-6-16)18-8-13-30-14-9-18/h16-18H,1-15H2,(H,24,25,28).
What are the key properties of 6-(cyclopentanecarbonyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-(cyclopentanecarbonyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 414.55 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentanecarbonyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136774698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).