3-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-quinazoline-2,4-dione

C22H25N3O2 — CID 3087086

IUPAC3-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1CCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H25N3O2/c26-21-19-8-4-5-9-20(19)23-22(27)25(21)15-12-17-10-13-24(14-11-17)16-18-6-2-1-3-7-18/h1-9,17H,10-16H2,(H,23,27)
InChIKeyNOUFYSVCMVOTOJ-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.99
Rot. Bonds5

About 3-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-quinazoline-2,4-dione

3-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-quinazoline-2,4-dione (PubChem CID 3087086) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-quinazoline-2,4-dione
PubChem CID3087086
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1CCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H25N3O2/c26-21-19-8-4-5-9-20(19)23-22(27)25(21)15-12-17-10-13-24(14-11-17)16-18-6-2-1-3-7-18/h1-9,17H,10-16H2,(H,23,27)
InChIKeyNOUFYSVCMVOTOJ-UHFFFAOYSA-N
XLogP2.99
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-quinazoline-2,4-dione (CID 3087086) is 3-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-quinazoline-2,4-dione is O=c1[nH]c2ccccc2c(=O)n1CCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-quinazoline-2,4-dione?
The InChIKey is NOUFYSVCMVOTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-21-19-8-4-5-9-20(19)23-22(27)25(21)15-12-17-10-13-24(14-11-17)16-18-6-2-1-3-7-18/h1-9,17H,10-16H2,(H,23,27).
What are the key properties of 3-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-quinazoline-2,4-dione?
3-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-quinazoline-2,4-dione has a molecular weight of 363.46 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 3087086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).