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

C24H32N6O5 — CID 121494193

IUPAC2-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
SMILESCOc1ccc(-c2nnc(C3CCN(CC(=O)NCC4NC(=O)C5COCCC5N4)CC3)o2)cc1
InChIInChI=1S/C24H32N6O5/c1-33-17-4-2-15(3-5-17)23-28-29-24(35-23)16-6-9-30(10-7-16)13-21(31)25-12-20-26-19-8-11-34-14-18(19)22(32)27-20/h2-5,16,18-20,26H,6-14H2,1H3,(H,25,31)(H,27,32)
InChIKeyQZIFHNRMWBMNSB-UHFFFAOYSA-N
MW484.56 g/mol
LogP0.49
Rot. Bonds7

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

2-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide (PubChem CID 121494193) has the molecular formula C24H32N6O5 and a molecular weight of 484.56 g/mol. Its IUPAC name is 2-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
PubChem CID121494193
Molecular FormulaC24H32N6O5
Molecular Weight484.56 g/mol
Exact Mass484.24
IUPAC Name2-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
SMILESCOc1ccc(-c2nnc(C3CCN(CC(=O)NCC4NC(=O)C5COCCC5N4)CC3)o2)cc1
InChIInChI=1S/C24H32N6O5/c1-33-17-4-2-15(3-5-17)23-28-29-24(35-23)16-6-9-30(10-7-16)13-21(31)25-12-20-26-19-8-11-34-14-18(19)22(32)27-20/h2-5,16,18-20,26H,6-14H2,1H3,(H,25,31)(H,27,32)
InChIKeyQZIFHNRMWBMNSB-UHFFFAOYSA-N
XLogP0.49
TPSA130.85 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Related Compounds

2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
CID 121494192
N-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]-4-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)butanamide
CID 131954084
N-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]-3-[(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)sulfanyl]propanamide
CID 131954170
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
N-(2-methoxyethyl)-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 121494190
2-[4-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-4-oxobutyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one
CID 131954069
2-[4-[4-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-4-oxobutyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one
CID 131954078
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 53166989
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 53167037
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 53167038
morpholine-4-carboxylic acid ((S)-3,3-difluoro-1-{(S)-1-[5-(4-trifluoromethoxy-phenyl)-1,3,4-oxadiazole-2-carbonyl]-propylcarbamoyl}-hexyl)-amide
CID 11410760
2-{4-[5-(4-Methoxy-phenyl)-[1,3,4]oxadiazol-2-yl]-piperidin-1-yl}-N-(4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-ylmethyl)-acetamide
CID 136627209

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide?
The IUPAC name of 2-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide (CID 121494193) is 2-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide is COc1ccc(-c2nnc(C3CCN(CC(=O)NCC4NC(=O)C5COCCC5N4)CC3)o2)cc1.
What is the InChIKey of 2-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide?
The InChIKey is QZIFHNRMWBMNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O5/c1-33-17-4-2-15(3-5-17)23-28-29-24(35-23)16-6-9-30(10-7-16)13-21(31)25-12-20-26-19-8-11-34-14-18(19)22(32)27-20/h2-5,16,18-20,26H,6-14H2,1H3,(H,25,31)(H,27,32).
What are the key properties of 2-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide?
2-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide has a molecular weight of 484.56 g/mol, XLogP of 0.49, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide is sourced from PubChem (CID 121494193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).