1-[3-(2-ethyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-3-oxopropyl]pyrimidine-2,4-dione

C18H26N4O4 — CID 70774929

About 1-[3-(2-ethyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-3-oxopropyl]pyrimidine-2,4-dione

1-[3-(2-ethyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-3-oxopropyl]pyrimidine-2,4-dione (PubChem CID 70774929) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-[3-(2-ethyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-3-oxopropyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[3-(2-ethyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-3-oxopropyl]pyrimidine-2,4-dione
• PubChem CID: 70774929
• Molecular Formula: C18H26N4O4
• Molecular Weight: 362.43 g/mol
• Exact Mass: 362.20
• IUPAC Name: 1-[3-(2-ethyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-3-oxopropyl]pyrimidine-2,4-dione
• SMILES: CCN1CC2(CCCN(C(=O)CCn3ccc(=O)[nH]c3=O)C2)CCC1=O
• InChI: InChI=1S/C18H26N4O4/c1-2-20-12-18(8-4-15(20)24)7-3-9-22(13-18)16(25)6-11-21-10-5-14(23)19-17(21)26/h5,10H,2-4,6-9,11-13H2,1H3,(H,19,23,26)
• InChIKey: XRGGQDNFKSMTRB-UHFFFAOYSA-N
• XLogP: 0.18
• TPSA: 95.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.43
LogP ≤ 5	0.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-3-oxopropyl]pyrimidine-2,4-dione?

The IUPAC name of 1-[3-(2-ethyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-3-oxopropyl]pyrimidine-2,4-dione (CID 70774929) is 1-[3-(2-ethyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-3-oxopropyl]pyrimidine-2,4-dione.

What is the SMILES notation for 1-[3-(2-ethyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-3-oxopropyl]pyrimidine-2,4-dione?

The canonical SMILES for 1-[3-(2-ethyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-3-oxopropyl]pyrimidine-2,4-dione is CCN1CC2(CCCN(C(=O)CCn3ccc(=O)[nH]c3=O)C2)CCC1=O.

What is the InChIKey of 1-[3-(2-ethyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-3-oxopropyl]pyrimidine-2,4-dione?

The InChIKey is XRGGQDNFKSMTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-2-20-12-18(8-4-15(20)24)7-3-9-22(13-18)16(25)6-11-21-10-5-14(23)19-17(21)26/h5,10H,2-4,6-9,11-13H2,1H3,(H,19,23,26).

What are the key properties of 1-[3-(2-ethyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-3-oxopropyl]pyrimidine-2,4-dione?

1-[3-(2-ethyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-3-oxopropyl]pyrimidine-2,4-dione has a molecular weight of 362.43 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(2-ethyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-3-oxopropyl]pyrimidine-2,4-dione is sourced from PubChem (CID 70774929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).