1,3-bis(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione

C22H28N4O4 — CID 1091547

IUPAC1,3-bis(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione
SMILESO=C(Cn1c(=O)c2ccccc2n(CC(=O)N2CCCCC2)c1=O)N1CCCCC1
InChIInChI=1S/C22H28N4O4/c27-19(23-11-5-1-6-12-23)15-25-18-10-4-3-9-17(18)21(29)26(22(25)30)16-20(28)24-13-7-2-8-14-24/h3-4,9-10H,1-2,5-8,11-16H2
InChIKeyXFGWXZYERTZJAA-UHFFFAOYSA-N
MW412.49 g/mol
LogP1.19
Rot. Bonds4

About 1,3-bis(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione

1,3-bis(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione (PubChem CID 1091547) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1,3-bis(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name1,3-bis(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione
PubChem CID1091547
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC Name1,3-bis(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione
SMILESO=C(Cn1c(=O)c2ccccc2n(CC(=O)N2CCCCC2)c1=O)N1CCCCC1
InChIInChI=1S/C22H28N4O4/c27-19(23-11-5-1-6-12-23)15-25-18-10-4-3-9-17(18)21(29)26(22(25)30)16-20(28)24-13-7-2-8-14-24/h3-4,9-10H,1-2,5-8,11-16H2
InChIKeyXFGWXZYERTZJAA-UHFFFAOYSA-N
XLogP1.19
TPSA84.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione?
The IUPAC name of 1,3-bis(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione (CID 1091547) is 1,3-bis(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione.
What is the SMILES notation for 1,3-bis(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione?
The canonical SMILES for 1,3-bis(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione is O=C(Cn1c(=O)c2ccccc2n(CC(=O)N2CCCCC2)c1=O)N1CCCCC1.
What is the InChIKey of 1,3-bis(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione?
The InChIKey is XFGWXZYERTZJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c27-19(23-11-5-1-6-12-23)15-25-18-10-4-3-9-17(18)21(29)26(22(25)30)16-20(28)24-13-7-2-8-14-24/h3-4,9-10H,1-2,5-8,11-16H2.
What are the key properties of 1,3-bis(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione?
1,3-bis(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione has a molecular weight of 412.49 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione is sourced from PubChem (CID 1091547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).