1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methyl-3-morpholin-4-ylpropan-1-one

C23H36N6O3 — CID 110262306

IUPAC1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methyl-3-morpholin-4-ylpropan-1-one
SMILESCNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(C(=O)C(C)CN1CCOCC1)CC2
InChIInChI=1S/C23H36N6O3/c1-16(14-27-10-12-32-13-11-27)23(31)29-9-6-20-19(15-29)22(24-3)26-21(25-20)18-4-7-28(8-5-18)17(2)30/h16,18H,4-15H2,1-3H3,(H,24,25,26)
InChIKeyQYGROEFACCYQJA-UHFFFAOYSA-N
MW444.58 g/mol
LogP1.10
Rot. Bonds5

About 1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methyl-3-morpholin-4-ylpropan-1-one

1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methyl-3-morpholin-4-ylpropan-1-one (PubChem CID 110262306) has the molecular formula C23H36N6O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is 1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methyl-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methyl-3-morpholin-4-ylpropan-1-one
PubChem CID110262306
Molecular FormulaC23H36N6O3
Molecular Weight444.58 g/mol
Exact Mass444.28
IUPAC Name1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methyl-3-morpholin-4-ylpropan-1-one
SMILESCNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(C(=O)C(C)CN1CCOCC1)CC2
InChIInChI=1S/C23H36N6O3/c1-16(14-27-10-12-32-13-11-27)23(31)29-9-6-20-19(15-29)22(24-3)26-21(25-20)18-4-7-28(8-5-18)17(2)30/h16,18H,4-15H2,1-3H3,(H,24,25,26)
InChIKeyQYGROEFACCYQJA-UHFFFAOYSA-N
XLogP1.10
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methyl-3-morpholin-4-ylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methyl-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methyl-3-morpholin-4-ylpropan-1-one (CID 110262306) is 1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methyl-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methyl-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methyl-3-morpholin-4-ylpropan-1-one is CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(C(=O)C(C)CN1CCOCC1)CC2.
What is the InChIKey of 1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methyl-3-morpholin-4-ylpropan-1-one?
The InChIKey is QYGROEFACCYQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N6O3/c1-16(14-27-10-12-32-13-11-27)23(31)29-9-6-20-19(15-29)22(24-3)26-21(25-20)18-4-7-28(8-5-18)17(2)30/h16,18H,4-15H2,1-3H3,(H,24,25,26).
What are the key properties of 1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methyl-3-morpholin-4-ylpropan-1-one?
1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methyl-3-morpholin-4-ylpropan-1-one has a molecular weight of 444.58 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methyl-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 110262306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).