1-[3-oxo-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]propyl]pyrimidine-2,4-dione

C18H26N4O4 — CID 86283997

About 1-[3-oxo-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]propyl]pyrimidine-2,4-dione

1-[3-oxo-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]propyl]pyrimidine-2,4-dione (PubChem CID 86283997) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-[3-oxo-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]propyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[3-oxo-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]propyl]pyrimidine-2,4-dione
• PubChem CID: 86283997
• Molecular Formula: C18H26N4O4
• Molecular Weight: 362.43 g/mol
• Exact Mass: 362.20
• IUPAC Name: 1-[3-oxo-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]propyl]pyrimidine-2,4-dione
• SMILES: O=C1CCCN1CCC1CCN(C(=O)CCn2ccc(=O)[nH]c2=O)CC1
• InChI: InChI=1S/C18H26N4O4/c23-15-6-12-22(18(26)19-15)13-7-17(25)21-10-4-14(5-11-21)3-9-20-8-1-2-16(20)24/h6,12,14H,1-5,7-11,13H2,(H,19,23,26)
• InChIKey: MHEHXDZSIPJNLR-UHFFFAOYSA-N
• XLogP: 0.18
• TPSA: 95.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• 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-oxo-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]propyl]pyrimidine-2,4-dione?

The IUPAC name of 1-[3-oxo-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]propyl]pyrimidine-2,4-dione (CID 86283997) is 1-[3-oxo-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]propyl]pyrimidine-2,4-dione.

What is the SMILES notation for 1-[3-oxo-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]propyl]pyrimidine-2,4-dione?

The canonical SMILES for 1-[3-oxo-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]propyl]pyrimidine-2,4-dione is O=C1CCCN1CCC1CCN(C(=O)CCn2ccc(=O)[nH]c2=O)CC1.

What is the InChIKey of 1-[3-oxo-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]propyl]pyrimidine-2,4-dione?

The InChIKey is MHEHXDZSIPJNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c23-15-6-12-22(18(26)19-15)13-7-17(25)21-10-4-14(5-11-21)3-9-20-8-1-2-16(20)24/h6,12,14H,1-5,7-11,13H2,(H,19,23,26).

What are the key properties of 1-[3-oxo-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]propyl]pyrimidine-2,4-dione?

1-[3-oxo-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]propyl]pyrimidine-2,4-dione has a molecular weight of 362.43 g/mol, XLogP of 0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-oxo-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]propyl]pyrimidine-2,4-dione is sourced from PubChem (CID 86283997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).