N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide

C23H30N6O4 — CID 121494189

IUPACN-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2nnc(-c3ccccc3)o2)CC1)NCC1NC(=O)C2COCCC2N1
InChIInChI=1S/C23H30N6O4/c30-20(24-12-19-25-18-8-11-32-14-17(18)21(31)26-19)13-29-9-6-16(7-10-29)23-28-27-22(33-23)15-4-2-1-3-5-15/h1-5,16-19,25H,6-14H2,(H,24,30)(H,26,31)
InChIKeyGCDHIMSLRAGOJN-UHFFFAOYSA-N
MW454.53 g/mol
LogP0.48
Rot. Bonds6

About N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide

N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide (PubChem CID 121494189) has the molecular formula C23H30N6O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide
PubChem CID121494189
Molecular FormulaC23H30N6O4
Molecular Weight454.53 g/mol
Exact Mass454.23
IUPAC NameN-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2nnc(-c3ccccc3)o2)CC1)NCC1NC(=O)C2COCCC2N1
InChIInChI=1S/C23H30N6O4/c30-20(24-12-19-25-18-8-11-32-14-17(18)21(31)26-19)13-29-9-6-16(7-10-29)23-28-27-22(33-23)15-4-2-1-3-5-15/h1-5,16-19,25H,6-14H2,(H,24,30)(H,26,31)
InChIKeyGCDHIMSLRAGOJN-UHFFFAOYSA-N
XLogP0.48
TPSA121.62 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide (CID 121494189) is N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide is O=C(CN1CCC(c2nnc(-c3ccccc3)o2)CC1)NCC1NC(=O)C2COCCC2N1.
What is the InChIKey of N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide?
The InChIKey is GCDHIMSLRAGOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O4/c30-20(24-12-19-25-18-8-11-32-14-17(18)21(31)26-19)13-29-9-6-16(7-10-29)23-28-27-22(33-23)15-4-2-1-3-5-15/h1-5,16-19,25H,6-14H2,(H,24,30)(H,26,31).
What are the key properties of N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide?
N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide has a molecular weight of 454.53 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 121494189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).