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

C24H28N6O5 — CID 136627209

IUPAC2-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
SMILESCOc1ccc(-c2nnc(C3CCN(CC(=O)NCc4nc5c(c(=O)[nH]4)COCC5)CC3)o2)cc1
InChIInChI=1S/C24H28N6O5/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/h2-5,16H,6-14H2,1H3,(H,25,31)(H,26,27,32)
InChIKeyNIEJYIGLCXXXQE-UHFFFAOYSA-N
MW480.53 g/mol
LogP1.40
Rot. Bonds7

About 2-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[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-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide (PubChem CID 136627209) has the molecular formula C24H28N6O5 and a molecular weight of 480.53 g/mol. Its IUPAC name is 2-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[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-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
PubChem CID136627209
Molecular FormulaC24H28N6O5
Molecular Weight480.53 g/mol
Exact Mass480.21
IUPAC Name2-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
SMILESCOc1ccc(-c2nnc(C3CCN(CC(=O)NCc4nc5c(c(=O)[nH]4)COCC5)CC3)o2)cc1
InChIInChI=1S/C24H28N6O5/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/h2-5,16H,6-14H2,1H3,(H,25,31)(H,26,27,32)
InChIKeyNIEJYIGLCXXXQE-UHFFFAOYSA-N
XLogP1.40
TPSA135.47 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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-3,5,7,8-tetrahydropyrano[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-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide (CID 136627209) is 2-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[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-3,5,7,8-tetrahydropyrano[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-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide is COc1ccc(-c2nnc(C3CCN(CC(=O)NCc4nc5c(c(=O)[nH]4)COCC5)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-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide?
The InChIKey is NIEJYIGLCXXXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O5/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/h2-5,16H,6-14H2,1H3,(H,25,31)(H,26,27,32).
What are the key properties of 2-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[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-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide has a molecular weight of 480.53 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 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-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide is sourced from PubChem (CID 136627209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).