1-[2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

C17H21N5O4 — CID 91774958

About 1-[2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

1-[2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 91774958) has the molecular formula C17H21N5O4 and a molecular weight of 359.39 g/mol. Its IUPAC name is 1-[2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
• PubChem CID: 91774958
• Molecular Formula: C17H21N5O4
• Molecular Weight: 359.39 g/mol
• Exact Mass: 359.16
• IUPAC Name: 1-[2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
• SMILES: O=C(Cn1ccc(=O)[nH]c1=O)N1CCC(Cc2noc(C3CC3)n2)CC1
• InChI: InChI=1S/C17H21N5O4/c23-14-5-8-22(17(25)19-14)10-15(24)21-6-3-11(4-7-21)9-13-18-16(26-20-13)12-1-2-12/h5,8,11-12H,1-4,6-7,9-10H2,(H,19,23,25)
• InChIKey: NAMDMVZSDOBMNJ-UHFFFAOYSA-N
• XLogP: 0.28
• TPSA: 114.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.39
LogP ≤ 5	0.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?

The IUPAC name of 1-[2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (CID 91774958) is 1-[2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.

What is the SMILES notation for 1-[2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?

The canonical SMILES for 1-[2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is O=C(Cn1ccc(=O)[nH]c1=O)N1CCC(Cc2noc(C3CC3)n2)CC1.

What is the InChIKey of 1-[2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?

The InChIKey is NAMDMVZSDOBMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4/c23-14-5-8-22(17(25)19-14)10-15(24)21-6-3-11(4-7-21)9-13-18-16(26-20-13)12-1-2-12/h5,8,11-12H,1-4,6-7,9-10H2,(H,19,23,25).

What are the key properties of 1-[2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?

1-[2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 359.39 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 91774958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).