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

C23H32N4O5 — CID 136795990

IUPAC6-(oxane-4-carbonyl)-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(C1CCOCC1)N1CCc2nc(C3CCN(C(=O)C4CCCO4)CC3)[nH]c(=O)c2C1
InChIInChI=1S/C23H32N4O5/c28-21-17-14-27(22(29)16-6-12-31-13-7-16)10-5-18(17)24-20(25-21)15-3-8-26(9-4-15)23(30)19-2-1-11-32-19/h15-16,19H,1-14H2,(H,24,25,28)
InChIKeyPFEVNYMMMFQRFH-UHFFFAOYSA-N
MW444.53 g/mol
LogP0.97
Rot. Bonds3

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

6-(oxane-4-carbonyl)-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136795990) has the molecular formula C23H32N4O5 and a molecular weight of 444.53 g/mol. Its IUPAC name is 6-(oxane-4-carbonyl)-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(oxane-4-carbonyl)-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136795990
Molecular FormulaC23H32N4O5
Molecular Weight444.53 g/mol
Exact Mass444.24
IUPAC Name6-(oxane-4-carbonyl)-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(C1CCOCC1)N1CCc2nc(C3CCN(C(=O)C4CCCO4)CC3)[nH]c(=O)c2C1
InChIInChI=1S/C23H32N4O5/c28-21-17-14-27(22(29)16-6-12-31-13-7-16)10-5-18(17)24-20(25-21)15-3-8-26(9-4-15)23(30)19-2-1-11-32-19/h15-16,19H,1-14H2,(H,24,25,28)
InChIKeyPFEVNYMMMFQRFH-UHFFFAOYSA-N
XLogP0.97
TPSA104.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(cyclopropanecarbonyl)-2-[(3R)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136774672
6-(cyclopentanecarbonyl)-2-[(2S)-1-[(2R)-oxolane-2-carbonyl]piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136774696
2-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136891278
2-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136891277
2-[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136774685
2-[(2R)-1-(cyclobutanecarbonyl)piperidin-2-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136774817
6-(4-fluorobenzoyl)-2-[1-(oxan-4-yl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136681365
6-(cyclopropanecarbonyl)-2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796070
1-[4-[4-(methylamino)-6-(oxolane-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110262134
6-(cyclopropanecarbonyl)-2-[1-[(5-methylthiophen-3-yl)methyl]piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796067
2-[(2S)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]-6-(thiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136681667
1-[4-(methylamino)-2-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92625258

Frequently Asked Questions

What is the IUPAC name of 6-(oxane-4-carbonyl)-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-(oxane-4-carbonyl)-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136795990) is 6-(oxane-4-carbonyl)-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(oxane-4-carbonyl)-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(oxane-4-carbonyl)-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=C(C1CCOCC1)N1CCc2nc(C3CCN(C(=O)C4CCCO4)CC3)[nH]c(=O)c2C1.
What is the InChIKey of 6-(oxane-4-carbonyl)-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is PFEVNYMMMFQRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O5/c28-21-17-14-27(22(29)16-6-12-31-13-7-16)10-5-18(17)24-20(25-21)15-3-8-26(9-4-15)23(30)19-2-1-11-32-19/h15-16,19H,1-14H2,(H,24,25,28).
What are the key properties of 6-(oxane-4-carbonyl)-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-(oxane-4-carbonyl)-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 444.53 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxane-4-carbonyl)-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136795990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).