2-[4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)piperidin-1-yl]-3,7-dimethylpyrimido[1,2-a]pyrimidin-6-one

C22H24N4O4 — CID 178171859

IUPAC2-[4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)piperidin-1-yl]-3,7-dimethylpyrimido[1,2-a]pyrimidin-6-one
SMILESCc1cn2c(=O)c(C)cnc2nc1N1CCC(Oc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C22H24N4O4/c1-14-12-23-22-24-20(15(2)13-26(22)21(14)27)25-7-5-16(6-8-25)30-17-3-4-18-19(11-17)29-10-9-28-18/h3-4,11-13,16H,5-10H2,1-2H3
InChIKeyHPCWVSBCUPEZOP-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.53
Rot. Bonds3

About 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)piperidin-1-yl]-3,7-dimethylpyrimido[1,2-a]pyrimidin-6-one

2-[4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)piperidin-1-yl]-3,7-dimethylpyrimido[1,2-a]pyrimidin-6-one (PubChem CID 178171859) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)piperidin-1-yl]-3,7-dimethylpyrimido[1,2-a]pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)piperidin-1-yl]-3,7-dimethylpyrimido[1,2-a]pyrimidin-6-one
PubChem CID178171859
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name2-[4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)piperidin-1-yl]-3,7-dimethylpyrimido[1,2-a]pyrimidin-6-one
SMILESCc1cn2c(=O)c(C)cnc2nc1N1CCC(Oc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C22H24N4O4/c1-14-12-23-22-24-20(15(2)13-26(22)21(14)27)25-7-5-16(6-8-25)30-17-3-4-18-19(11-17)29-10-9-28-18/h3-4,11-13,16H,5-10H2,1-2H3
InChIKeyHPCWVSBCUPEZOP-UHFFFAOYSA-N
XLogP2.53
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)piperidin-1-yl]-3,7-dimethylpyrimido[1,2-a]pyrimidin-6-one?
The IUPAC name of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)piperidin-1-yl]-3,7-dimethylpyrimido[1,2-a]pyrimidin-6-one (CID 178171859) is 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)piperidin-1-yl]-3,7-dimethylpyrimido[1,2-a]pyrimidin-6-one.
What is the SMILES notation for 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)piperidin-1-yl]-3,7-dimethylpyrimido[1,2-a]pyrimidin-6-one?
The canonical SMILES for 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)piperidin-1-yl]-3,7-dimethylpyrimido[1,2-a]pyrimidin-6-one is Cc1cn2c(=O)c(C)cnc2nc1N1CCC(Oc2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)piperidin-1-yl]-3,7-dimethylpyrimido[1,2-a]pyrimidin-6-one?
The InChIKey is HPCWVSBCUPEZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-14-12-23-22-24-20(15(2)13-26(22)21(14)27)25-7-5-16(6-8-25)30-17-3-4-18-19(11-17)29-10-9-28-18/h3-4,11-13,16H,5-10H2,1-2H3.
What are the key properties of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)piperidin-1-yl]-3,7-dimethylpyrimido[1,2-a]pyrimidin-6-one?
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)piperidin-1-yl]-3,7-dimethylpyrimido[1,2-a]pyrimidin-6-one has a molecular weight of 408.46 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)piperidin-1-yl]-3,7-dimethylpyrimido[1,2-a]pyrimidin-6-one is sourced from PubChem (CID 178171859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).