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

C23H29FN6O4 — CID 121494192

IUPAC2-[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
SMILESO=C(CN1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1)NCC1NC(=O)C2COCCC2N1
InChIInChI=1S/C23H29FN6O4/c24-16-3-1-14(2-4-16)22-28-29-23(34-22)15-5-8-30(9-6-15)12-20(31)25-11-19-26-18-7-10-33-13-17(18)21(32)27-19/h1-4,15,17-19,26H,5-13H2,(H,25,31)(H,27,32)
InChIKeyGJKKCHPTCPVQKV-UHFFFAOYSA-N
MW472.52 g/mol
LogP0.62
Rot. Bonds6

About 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

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 (PubChem CID 121494192) has the molecular formula C23H29FN6O4 and a molecular weight of 472.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID121494192
Molecular FormulaC23H29FN6O4
Molecular Weight472.52 g/mol
Exact Mass472.22
IUPAC Name2-[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
SMILESO=C(CN1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1)NCC1NC(=O)C2COCCC2N1
InChIInChI=1S/C23H29FN6O4/c24-16-3-1-14(2-4-16)22-28-29-23(34-22)15-5-8-30(9-6-15)12-20(31)25-11-19-26-18-7-10-33-13-17(18)21(32)27-19/h1-4,15,17-19,26H,5-13H2,(H,25,31)(H,27,32)
InChIKeyGJKKCHPTCPVQKV-UHFFFAOYSA-N
XLogP0.62
TPSA121.62 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(CN1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1)NCC1NC(=O)C2COCCC2N1.
What is the InChIKey of 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?
The InChIKey is GJKKCHPTCPVQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN6O4/c24-16-3-1-14(2-4-16)22-28-29-23(34-22)15-5-8-30(9-6-15)12-20(31)25-11-19-26-18-7-10-33-13-17(18)21(32)27-19/h1-4,15,17-19,26H,5-13H2,(H,25,31)(H,27,32).
What are the key properties of 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?
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 has a molecular weight of 472.52 g/mol, XLogP of 0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 121494192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).