1-[2-(4,4-dimethyl-3-phenylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione

C23H25N3O3 — CID 154850217

IUPAC1-[2-(4,4-dimethyl-3-phenylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
SMILESCC1(C)CCN(C(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)CC1c1ccccc1
InChIInChI=1S/C23H25N3O3/c1-23(2)12-13-25(14-18(23)16-8-4-3-5-9-16)20(27)15-26-19-11-7-6-10-17(19)21(28)24-22(26)29/h3-11,18H,12-15H2,1-2H3,(H,24,28,29)
InChIKeySNOCLIVXLLGDLI-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.73
Rot. Bonds3

About 1-[2-(4,4-dimethyl-3-phenylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione

1-[2-(4,4-dimethyl-3-phenylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione (PubChem CID 154850217) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-[2-(4,4-dimethyl-3-phenylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[2-(4,4-dimethyl-3-phenylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
PubChem CID154850217
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name1-[2-(4,4-dimethyl-3-phenylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
SMILESCC1(C)CCN(C(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)CC1c1ccccc1
InChIInChI=1S/C23H25N3O3/c1-23(2)12-13-25(14-18(23)16-8-4-3-5-9-16)20(27)15-26-19-11-7-6-10-17(19)21(28)24-22(26)29/h3-11,18H,12-15H2,1-2H3,(H,24,28,29)
InChIKeySNOCLIVXLLGDLI-UHFFFAOYSA-N
XLogP2.73
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4,4-dimethyl-3-phenylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione with MolForge

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Related Compounds

1-[2-(4,4-difluoro-3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 154738311
1-[2-(azocan-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 17437474
1-(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione
CID 36865914
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-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256924
1-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 30470000
1-[2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
CID 126450682
1-[3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
CID 124589712
1-[2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 167987362
4-hydroxy-1-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]piperidine-4-carboxylic acid
CID 119251084
2-(2,4-dioxoquinazolin-1-yl)-N-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]acetamide
CID 126826629

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-dimethyl-3-phenylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione?
The IUPAC name of 1-[2-(4,4-dimethyl-3-phenylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione (CID 154850217) is 1-[2-(4,4-dimethyl-3-phenylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione.
What is the SMILES notation for 1-[2-(4,4-dimethyl-3-phenylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione?
The canonical SMILES for 1-[2-(4,4-dimethyl-3-phenylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione is CC1(C)CCN(C(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)CC1c1ccccc1.
What is the InChIKey of 1-[2-(4,4-dimethyl-3-phenylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione?
The InChIKey is SNOCLIVXLLGDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-23(2)12-13-25(14-18(23)16-8-4-3-5-9-16)20(27)15-26-19-11-7-6-10-17(19)21(28)24-22(26)29/h3-11,18H,12-15H2,1-2H3,(H,24,28,29).
What are the key properties of 1-[2-(4,4-dimethyl-3-phenylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione?
1-[2-(4,4-dimethyl-3-phenylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione has a molecular weight of 391.47 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-dimethyl-3-phenylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione is sourced from PubChem (CID 154850217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).