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

C15H17N3O3 — CID 36865914

IUPAC1-(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione
SMILESO=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N1CCCCC1
InChIInChI=1S/C15H17N3O3/c19-13(17-8-4-1-5-9-17)10-18-12-7-3-2-6-11(12)14(20)16-15(18)21/h2-3,6-7H,1,4-5,8-10H2,(H,16,20,21)
InChIKeyKZVFCBOHOBKTSZ-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.70
Rot. Bonds2

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

1-(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione (PubChem CID 36865914) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name1-(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione
PubChem CID36865914
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione
SMILESO=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N1CCCCC1
InChIInChI=1S/C15H17N3O3/c19-13(17-8-4-1-5-9-17)10-18-12-7-3-2-6-11(12)14(20)16-15(18)21/h2-3,6-7H,1,4-5,8-10H2,(H,16,20,21)
InChIKeyKZVFCBOHOBKTSZ-UHFFFAOYSA-N
XLogP0.70
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(azocan-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 17437474
1-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 30470000
2-carbazol-9-yl-1-pyrrolidin-1-ylethanone
CID 67925935
1-[2-oxo-2-(3-piperazin-1-ylpiperidin-1-yl)ethyl]quinazoline-2,4-dione
CID 146092841
2-(2,4-dioxoquinazolin-1-yl)acetamide
CID 155322960
1-[2-(4,4-difluoro-3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 154738311
4-[2-(azepan-1-yl)-2-oxoethyl]-1H-quinoxaline-2,3-dione
CID 113195604
1-[2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 167987362
1-[2-(4,4-dimethyl-3-phenylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 154850217
4-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinolin-2-one
CID 39768041
1-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione
CID 51274736
1-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]quinazoline-2,4-dione
CID 24545134

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione?
The IUPAC name of 1-(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione (CID 36865914) is 1-(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione.
What is the SMILES notation for 1-(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione?
The canonical SMILES for 1-(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione is O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N1CCCCC1.
What is the InChIKey of 1-(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione?
The InChIKey is KZVFCBOHOBKTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-13(17-8-4-1-5-9-17)10-18-12-7-3-2-6-11(12)14(20)16-15(18)21/h2-3,6-7H,1,4-5,8-10H2,(H,16,20,21).
What are the key properties of 1-(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione?
1-(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione has a molecular weight of 287.32 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione is sourced from PubChem (CID 36865914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).