2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-1-yl]-N-[(4-oxo-4a,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide

C24H28N4O5 — CID 78041512

IUPAC2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-1-yl]-N-[(4-oxo-4a,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
SMILESO=C(CN1CCC(C(=O)c2ccc3c(c2)CCO3)CC1)NCC1=NC(=O)C2COCCC2=N1
InChIInChI=1S/C24H28N4O5/c29-22(25-12-21-26-19-6-9-32-14-18(19)24(31)27-21)13-28-7-3-15(4-8-28)23(30)17-1-2-20-16(11-17)5-10-33-20/h1-2,11,15,18H,3-10,12-14H2,(H,25,29)
InChIKeyCRUJDNOMOFLPDE-UHFFFAOYSA-N
MW452.51 g/mol
LogP1.05
Rot. Bonds6

About 2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-1-yl]-N-[(4-oxo-4a,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide

2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-1-yl]-N-[(4-oxo-4a,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide (PubChem CID 78041512) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-1-yl]-N-[(4-oxo-4a,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-1-yl]-N-[(4-oxo-4a,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
PubChem CID78041512
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC Name2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-1-yl]-N-[(4-oxo-4a,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
SMILESO=C(CN1CCC(C(=O)c2ccc3c(c2)CCO3)CC1)NCC1=NC(=O)C2COCCC2=N1
InChIInChI=1S/C24H28N4O5/c29-22(25-12-21-26-19-6-9-32-14-18(19)24(31)27-21)13-28-7-3-15(4-8-28)23(30)17-1-2-20-16(11-17)5-10-33-20/h1-2,11,15,18H,3-10,12-14H2,(H,25,29)
InChIKeyCRUJDNOMOFLPDE-UHFFFAOYSA-N
XLogP1.05
TPSA109.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-1-yl]-N-[(4-oxo-4a,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide?
The IUPAC name of 2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-1-yl]-N-[(4-oxo-4a,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide (CID 78041512) is 2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-1-yl]-N-[(4-oxo-4a,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-1-yl]-N-[(4-oxo-4a,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-1-yl]-N-[(4-oxo-4a,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide is O=C(CN1CCC(C(=O)c2ccc3c(c2)CCO3)CC1)NCC1=NC(=O)C2COCCC2=N1.
What is the InChIKey of 2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-1-yl]-N-[(4-oxo-4a,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide?
The InChIKey is CRUJDNOMOFLPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5/c29-22(25-12-21-26-19-6-9-32-14-18(19)24(31)27-21)13-28-7-3-15(4-8-28)23(30)17-1-2-20-16(11-17)5-10-33-20/h1-2,11,15,18H,3-10,12-14H2,(H,25,29).
What are the key properties of 2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-1-yl]-N-[(4-oxo-4a,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide?
2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-1-yl]-N-[(4-oxo-4a,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide has a molecular weight of 452.51 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-1-yl]-N-[(4-oxo-4a,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide is sourced from PubChem (CID 78041512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).